nmr-processing 18.0.0 → 18.0.2

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Files changed (7) hide show
  1. package/CHANGELOG.md +1805 -0
  2. package/dist/nmr-processing.cjs +3 -0
  3. package/{nmr-processing.d.ts → dist/nmr-processing.d.ts} +2 -1
  4. package/dist/nmr-processing.mjs +3 -0
  5. package/package.json +32 -43
  6. package/nmr-processing.cjs +0 -3
  7. package/nmr-processing.mjs +0 -3
package/CHANGELOG.md ADDED
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+ # Changelog
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+
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+ ## [17.1.3](https://github.com/cheminfo/nmr-processing/compare/v17.1.2...v17.1.3) (2025-03-24)
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+
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+
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+ ### Bug Fixes
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+
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+ * rename massive to multiplet ([4704d4a](https://github.com/cheminfo/nmr-processing/commit/4704d4a78c47361c11358b91167fa7b52c5f5317))
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+
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+ ## [17.1.2](https://github.com/cheminfo/nmr-processing/compare/v17.1.1...v17.1.2) (2025-03-24)
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+
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+
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+ ### Bug Fixes
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+
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+ * correct handling of nucleus when it has more than one letter ([44a7424](https://github.com/cheminfo/nmr-processing/commit/44a742406ad602050ead39c2fc7a9483a473518b))
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+
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+ ## [17.1.1](https://github.com/cheminfo/nmr-processing/compare/v17.1.0...v17.1.1) (2025-03-21)
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+
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+
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+ ### Bug Fixes
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+
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+ * add unicorn ESLint config and fix errors ([f1bf012](https://github.com/cheminfo/nmr-processing/commit/f1bf0127d8393cd0b74bb3a7fa8cc6761ca0e3e0))
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+
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+ ## [17.1.0](https://github.com/cheminfo/nmr-processing/compare/v17.0.0...v17.1.0) (2025-03-20)
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+
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+
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+ ### Features
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+
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+ * complex backward linear prediction ([#537](https://github.com/cheminfo/nmr-processing/issues/537)) ([0e49984](https://github.com/cheminfo/nmr-processing/commit/0e499842bd383651c102a21aa788e7f396065495))
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+ * enhance ctParser with improved type definitions and parsing structure ([#545](https://github.com/cheminfo/nmr-processing/issues/545)) ([0488b7d](https://github.com/cheminfo/nmr-processing/commit/0488b7defd73d3d58bcbc7bb82d13bf353dd5cbf))
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+
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+
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+ ### Bug Fixes
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+
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+ * avoid explicit any in prediction folder ([#547](https://github.com/cheminfo/nmr-processing/issues/547)) ([b6637c8](https://github.com/cheminfo/nmr-processing/commit/b6637c8f7f391e8dd1380ec5d05a6d94f71794d6))
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+ * do not allow from-to equal to window size in ranges picking ([ee52ed2](https://github.com/cheminfo/nmr-processing/commit/ee52ed22b438cb2540360ae3a9451cde35bb6834))
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+ * handle null values consistently in sorting multiplicity patterns ([#548](https://github.com/cheminfo/nmr-processing/issues/548)) ([5d60220](https://github.com/cheminfo/nmr-processing/commit/5d6022016ab705ac3cfcb8fca15d98efdc59c5b1))
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+ * simplify sorting multiplicity patterns to fix bug on firefox ([#549](https://github.com/cheminfo/nmr-processing/issues/549)) ([5429172](https://github.com/cheminfo/nmr-processing/commit/54291728195349a52512e42440d9b3ef3130d6c6))
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+ * use correct fromIndex/toIndex in xyAutoRangesPicking ([8917e0a](https://github.com/cheminfo/nmr-processing/commit/8917e0ae0b1c66f9aecffdda18f02fa6a3bbec0f))
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+
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+ ## [17.0.0](https://github.com/cheminfo/nmr-processing/compare/v16.0.1...v17.0.0) (2025-03-08)
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+
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+
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+ ### ⚠ BREAKING CHANGES
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+
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+ * refactor splitPatterns to return more information
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+ * remove checkMultiplet that was exposed but does not seem to be used
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+ * previous information was only a text field that is now stored in the 'value' property of the returned object. This change allows for more flexibility in the future.
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+
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+ ### Features
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+
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+ * get a peak pivot on the sides from xy data or peak list ([#534](https://github.com/cheminfo/nmr-processing/issues/534)) ([104936c](https://github.com/cheminfo/nmr-processing/commit/104936c445134aebb79f11fafce749a19180f49a))
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+ * implementation of baseline correction by Bernstein Polynomial n Cubic Spline fitting ([#525](https://github.com/cheminfo/nmr-processing/issues/525)) ([46efe76](https://github.com/cheminfo/nmr-processing/commit/46efe7625006451fc0b0f7cd79f4de7562353845))
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+ * normalize coupling multiplicity to one letter in order to allow edition in NMRium and enforce types ([f4cb65b](https://github.com/cheminfo/nmr-processing/commit/f4cb65b828949e56ca660650d0a1345817a8d102))
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+ * refactor splitPatterns to return more information ([f4cb65b](https://github.com/cheminfo/nmr-processing/commit/f4cb65b828949e56ca660650d0a1345817a8d102))
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+ * refactor splitPatterns to return more information ([f4cb65b](https://github.com/cheminfo/nmr-processing/commit/f4cb65b828949e56ca660650d0a1345817a8d102))
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+
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+
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+ ### Bug Fixes
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+
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+ * do not create empty `im` array in phase correction ([#539](https://github.com/cheminfo/nmr-processing/issues/539)) ([66264d6](https://github.com/cheminfo/nmr-processing/commit/66264d6328eb6fcd82de9132f9058cd6b6f72706))
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+
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+ ### Miscellaneous Chores
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+
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+ * remove checkMultiplet that was exposed but does not seem to be used ([f4cb65b](https://github.com/cheminfo/nmr-processing/commit/f4cb65b828949e56ca660650d0a1345817a8d102))
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+
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+ ## [16.0.1](https://github.com/cheminfo/nmr-processing/compare/v16.0.0...v16.0.1) (2025-02-20)
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+ ### Bug Fixes
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+ * use correct SPDX syntax for license ([38a8742](https://github.com/cheminfo/nmr-processing/commit/38a874296d56fedf7655e6e9daf049d61342a90d))
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+ ## [16.0.0](https://github.com/cheminfo/nmr-processing/compare/v15.1.2...v16.0.0) (2025-02-14)
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+ ### ⚠ BREAKING CHANGES
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+ * update license to CC-BY-NC-SA-4.0 ([#528](https://github.com/cheminfo/nmr-processing/issues/528))
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+
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+ ### Features
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+
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+ * update license to CC-BY-NC-SA-4.0 ([#528](https://github.com/cheminfo/nmr-processing/issues/528)) ([a47a726](https://github.com/cheminfo/nmr-processing/commit/a47a7268b9fa4b1462184a8dd6190ac22d85c89c))
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+ ## [15.1.2](https://github.com/cheminfo/nmr-processing/compare/v15.1.1...v15.1.2) (2025-02-14)
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+ ### Bug Fixes
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+ * use MIT-licensed brukerconverter ([#526](https://github.com/cheminfo/nmr-processing/issues/526)) ([935fb71](https://github.com/cheminfo/nmr-processing/commit/935fb7164b7e96064bfba5f185fbcfef07228da4))
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+
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+ ## [15.1.1](https://github.com/cheminfo/nmr-processing/compare/v15.1.0...v15.1.1) (2025-02-04)
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+ ### Bug Fixes
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+ * correlation types ([602c2b0](https://github.com/cheminfo/nmr-processing/commit/602c2b06ace1eaacd38b47911c7352f01e9bcad0))
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+ * remove circular dependencies ([8f2b9f5](https://github.com/cheminfo/nmr-processing/commit/8f2b9f5f0486c5cf09768c68f3e73557c5cef146))
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+ * remove lodash.omit ([#518](https://github.com/cheminfo/nmr-processing/issues/518)) ([6c537df](https://github.com/cheminfo/nmr-processing/commit/6c537df03ed742df73e1fa16cc06f7fbef55088a))
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+ ## [15.1.0](https://github.com/cheminfo/nmr-processing/compare/v15.0.0...v15.1.0) (2025-01-10)
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+ ### Features
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+ * implementation of nus reconstruction by IST method ([#511](https://github.com/cheminfo/nmr-processing/issues/511)) ([2fdaae0](https://github.com/cheminfo/nmr-processing/commit/2fdaae0717598ee1cf88d7f427955fda9b08016e))
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+ ## [15.0.0](https://github.com/cheminfo/nmr-processing/compare/v14.0.6...v15.0.0) (2024-12-12)
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+ ### ⚠ BREAKING CHANGES
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+ * prediction cache has as first argument topicMolecule instead of a string
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+ ### Features
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+
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+ * prediction cache has as first argument topicMolecule instead of a string ([ef44793](https://github.com/cheminfo/nmr-processing/commit/ef447935bbf8bae9b6e7d2f843c203f318af304e))
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+ * xreimMultipletAnalysis to extract J couplings by recursive deconvolution ([#500](https://github.com/cheminfo/nmr-processing/issues/500)) ([4b16b1b](https://github.com/cheminfo/nmr-processing/commit/4b16b1b0031be75f199260753e7b9b173224f6bd))
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+ ### Bug Fixes
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+ * cosy prediction by couplings in 1D prediction ([#504](https://github.com/cheminfo/nmr-processing/issues/504)) ([6c14b52](https://github.com/cheminfo/nmr-processing/commit/6c14b5245073481b537cfd256cab71044425e3b4))
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+ * predict cosy should also accepts minlength n maxlength with priority over minCoupling ([#507](https://github.com/cheminfo/nmr-processing/issues/507)) ([3c7faa8](https://github.com/cheminfo/nmr-processing/commit/3c7faa818c74102361956f035ed82529257290ff))
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+ ## [14.0.6](https://github.com/cheminfo/nmr-processing/compare/v14.0.5...v14.0.6) (2024-12-03)
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+ ### Bug Fixes
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+ * include peaks of diagonal in COSY ([#498](https://github.com/cheminfo/nmr-processing/issues/498)) ([11324ce](https://github.com/cheminfo/nmr-processing/commit/11324ce7091e84174cd35d370fc5cbf0c9ca952a))
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+ ## [14.0.5](https://github.com/cheminfo/nmr-processing/compare/v14.0.4...v14.0.5) (2024-11-26)
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+ ### Bug Fixes
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+ * add xyCalculateDiffussionCoefficient function ([#488](https://github.com/cheminfo/nmr-processing/issues/488)) ([c03969e](https://github.com/cheminfo/nmr-processing/commit/c03969e052caac927e831dd962b12f28660d7c95))
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+ * check correctly the processing step in FFT 2D ([#493](https://github.com/cheminfo/nmr-processing/issues/493)) ([3845ce3](https://github.com/cheminfo/nmr-processing/commit/3845ce3fdc71ff306cebc7884aea7277d9aa486f))
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+ ## [14.0.4](https://github.com/cheminfo/nmr-processing/compare/v14.0.3...v14.0.4) (2024-11-23)
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+ ### Bug Fixes
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+ * add log of time-consuming for filter 1D ([#490](https://github.com/cheminfo/nmr-processing/issues/490)) ([f1f3dae](https://github.com/cheminfo/nmr-processing/commit/f1f3dae7af2abd6d8c8ba1158f6cb3e6abcfcaf6))
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+ ## [14.0.3](https://github.com/cheminfo/nmr-processing/compare/v14.0.2...v14.0.3) (2024-11-20)
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+ ### Bug Fixes
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+ * remove Solvent type ([23a4481](https://github.com/cheminfo/nmr-processing/commit/23a44812b2e7e2d05b714ec48cc6dc1f11c83186))
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+ ## [14.0.2](https://github.com/cheminfo/nmr-processing/compare/v14.0.1...v14.0.2) (2024-11-20)
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+ ### Bug Fixes
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+ * remove Nucleus/Nuclei types ([c06abf9](https://github.com/cheminfo/nmr-processing/commit/c06abf99cd228d6868a266bd9d197be16e5b9c27))
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+ ## [14.0.1](https://github.com/cheminfo/nmr-processing/compare/v14.0.0...v14.0.1) (2024-11-20)
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+ ### Bug Fixes
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+ * delete/enable filter by id ([b42363b](https://github.com/cheminfo/nmr-processing/commit/b42363b3fb5db7539661680a1102a6e4b482cfd5))
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+ ## [14.0.0](https://github.com/cheminfo/nmr-processing/compare/v13.0.2...v14.0.0) (2024-11-19)
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+ ### ⚠ BREAKING CHANGES
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+ * filters
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+ ### Code Refactoring
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+ * filters ([32941fc](https://github.com/cheminfo/nmr-processing/commit/32941fccdd32fc399eede03b66ccce35898002d7))
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+ ## [13.0.2](https://github.com/cheminfo/nmr-processing/compare/v13.0.1...v13.0.2) (2024-10-21)
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+ ### Bug Fixes
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+ * split apodization2D into dimensions ([#474](https://github.com/cheminfo/nmr-processing/issues/474)) ([bd72718](https://github.com/cheminfo/nmr-processing/commit/bd7271820d7b9c872c6bdcfbb080a10935901f4f))
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+ ## [13.0.1](https://github.com/cheminfo/nmr-processing/compare/v13.0.0...v13.0.1) (2024-10-12)
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+ ### Bug Fixes
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+ * improve and change [1|2]D apodization ([#472](https://github.com/cheminfo/nmr-processing/issues/472)) ([b87232b](https://github.com/cheminfo/nmr-processing/commit/b87232bc6f26dd058c89cc5ed55a3a6917fb2434))
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+ ## [13.0.0](https://github.com/cheminfo/nmr-processing/compare/v12.12.3...v13.0.0) (2024-10-03)
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+ ### ⚠ BREAKING CHANGES
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+ * change format options for apodization 1D ([#469](https://github.com/cheminfo/nmr-processing/issues/469))
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+ ### Bug Fixes
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+ * **apodization:** fix modifiedGaussian and sineSquare added ([#468](https://github.com/cheminfo/nmr-processing/issues/468)) ([6deafea](https://github.com/cheminfo/nmr-processing/commit/6deafea4f122ed347a937c77711a0328fe053478))
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+ * change format options for apodization 1D ([#469](https://github.com/cheminfo/nmr-processing/issues/469)) ([3e870e5](https://github.com/cheminfo/nmr-processing/commit/3e870e5f4e5fe2011559637dd6294b7ec01667d4))
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+ * export type for apodization2D options ([#470](https://github.com/cheminfo/nmr-processing/issues/470)) ([1aab7d9](https://github.com/cheminfo/nmr-processing/commit/1aab7d98c853ca062fc385b33cf3b7b09c69fe91))
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+ * generalized Lorentzian shape for fitting ([#464](https://github.com/cheminfo/nmr-processing/issues/464)) ([bb7c013](https://github.com/cheminfo/nmr-processing/commit/bb7c0134888dd2376e6885f14ad35ac15d1b3ed1))
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+ * merge apodizationdimension1 and apodizationdimension2 into apodization2d filter ([#467](https://github.com/cheminfo/nmr-processing/issues/467)) ([8746a97](https://github.com/cheminfo/nmr-processing/commit/8746a97388fa0f6e1be4ffc91bf2017011113720))
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+ ## [12.12.3](https://github.com/cheminfo/nmr-processing/compare/v12.12.2...v12.12.3) (2024-09-17)
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+ ### Bug Fixes
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+ * just remove group delay points ([#462](https://github.com/cheminfo/nmr-processing/issues/462)) ([d685de2](https://github.com/cheminfo/nmr-processing/commit/d685de2cd0be256a6893530a56f330276dc60d31))
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+ ## [12.12.2](https://github.com/cheminfo/nmr-processing/compare/v12.12.1...v12.12.2) (2024-09-10)
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+ ### Bug Fixes
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+ * add date, localDate n epoch to Info type ([#459](https://github.com/cheminfo/nmr-processing/issues/459)) ([7b9dbf4](https://github.com/cheminfo/nmr-processing/commit/7b9dbf47432a0ce417c480b521d86d5932ba131a))
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+ * lowercase group delay info n added owner ([f051411](https://github.com/cheminfo/nmr-processing/commit/f051411bd4caf9f27dac6d3c470c1363471deeb0))
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+ ## [12.12.1](https://github.com/cheminfo/nmr-processing/compare/v12.12.0...v12.12.1) (2024-08-23)
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+ ### Bug Fixes
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+ * **autoPhase:** trying to find baseline zones with original data first ([#457](https://github.com/cheminfo/nmr-processing/issues/457)) ([57c8ca7](https://github.com/cheminfo/nmr-processing/commit/57c8ca76a10407a2b360549ac4f51e799b99d4ac))
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+ ## [12.12.0](https://github.com/cheminfo/nmr-processing/compare/v12.11.0...v12.12.0) (2024-08-13)
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+ ### Features
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+ * improve format of database for prediction. ([#454](https://github.com/cheminfo/nmr-processing/issues/454)) ([a672ac3](https://github.com/cheminfo/nmr-processing/commit/a672ac3cc457e15cf4980ed521405e3eb6b36e50))
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+ ## [12.11.0](https://github.com/cheminfo/nmr-processing/compare/v12.10.1...v12.11.0) (2024-08-08)
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+ ### Features
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+ * add 'signals' to DatabaseNMREntry interface ([#451](https://github.com/cheminfo/nmr-processing/issues/451)) ([8c72449](https://github.com/cheminfo/nmr-processing/commit/8c7244998095e4626de8bf45486d1ca22d3db01a))
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+ ## [12.10.1](https://github.com/cheminfo/nmr-processing/compare/v12.10.0...v12.10.1) (2024-08-07)
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+ ### Bug Fixes
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+ * select distributed baseline zones in dietrich method ([#448](https://github.com/cheminfo/nmr-processing/issues/448)) ([99c25fe](https://github.com/cheminfo/nmr-processing/commit/99c25fe0e41a238d05b926c770f6ac18861c33dc))
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+ ## [12.10.0](https://github.com/cheminfo/nmr-processing/compare/v12.9.1...v12.10.0) (2024-08-07)
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+ ### Features
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+ * improve ctParser for cases with only one spin system and add logger ([b1e0ec3](https://github.com/cheminfo/nmr-processing/commit/b1e0ec3e5193a7cd22fdfb8db26ee179d391369c))
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+ ## [12.9.1](https://github.com/cheminfo/nmr-processing/compare/v12.9.0...v12.9.1) (2024-08-06)
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+ ### Bug Fixes
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+ * add options to getBaselineZonesByDietrich ([#445](https://github.com/cheminfo/nmr-processing/issues/445)) ([6b5d8d7](https://github.com/cheminfo/nmr-processing/commit/6b5d8d7c5f83c84f7f66055719a6e31ef10032bc))
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+ ## [12.9.0](https://github.com/cheminfo/nmr-processing/compare/v12.8.3...v12.9.0) (2024-08-02)
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+ ### Features
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+ * add ct parser ([89b0e67](https://github.com/cheminfo/nmr-processing/commit/89b0e67259bdbba76ee5d3d35d9530d1e6c46941))
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+ ## [12.8.3](https://github.com/cheminfo/nmr-processing/compare/v12.8.2...v12.8.3) (2024-07-24)
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+ ### Bug Fixes
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+ * do not reprocess the filters when the deleted filter is inactive ([d500b7a](https://github.com/cheminfo/nmr-processing/commit/d500b7a283671fee3ea8be8f04022b664b39240d))
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+ ## [12.8.2](https://github.com/cheminfo/nmr-processing/compare/v12.8.1...v12.8.2) (2024-07-23)
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+ ### Bug Fixes
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+ * rangeToXY for range with common names of multiplicities ([#437](https://github.com/cheminfo/nmr-processing/issues/437)) ([b395ace](https://github.com/cheminfo/nmr-processing/commit/b395ace7cfe172a8b2794e57503d7df1854cbcd3))
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+ ## [12.8.1](https://github.com/cheminfo/nmr-processing/compare/v12.8.0...v12.8.1) (2024-07-23)
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+ ### Bug Fixes
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+ * joining close baseline zones ([#434](https://github.com/cheminfo/nmr-processing/issues/434)) ([b9b1756](https://github.com/cheminfo/nmr-processing/commit/b9b1756c75d50233105dd99bb08db3f98e2e09c5))
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+ ## [12.8.0](https://github.com/cheminfo/nmr-processing/compare/v12.7.1...v12.8.0) (2024-07-15)
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+ ### Features
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+
300
+ * add rangesToTSV ([#432](https://github.com/cheminfo/nmr-processing/issues/432)) ([a364fb9](https://github.com/cheminfo/nmr-processing/commit/a364fb9b36a526aecbbee820f3e3aeeaaa118e19))
301
+
302
+ ## [12.7.1](https://github.com/cheminfo/nmr-processing/compare/v12.7.0...v12.7.1) (2024-07-06)
303
+
304
+
305
+ ### Reverts
306
+
307
+ * c2a8872f4459c1d8d3d00621f9eacff4d1606bdb ([2284e66](https://github.com/cheminfo/nmr-processing/commit/2284e66274f985d16f5064a68e0ea3a287d17e2f))
308
+
309
+ ## [12.7.0](https://github.com/cheminfo/nmr-processing/compare/v12.6.0...v12.7.0) (2024-07-05)
310
+
311
+
312
+ ### Features
313
+
314
+ * add a method to getPredictionFSCache to use the filesystem as a cache ([c2a8872](https://github.com/cheminfo/nmr-processing/commit/c2a8872f4459c1d8d3d00621f9eacff4d1606bdb))
315
+
316
+ ## [12.6.0](https://github.com/cheminfo/nmr-processing/compare/v12.5.0...v12.6.0) (2024-07-05)
317
+
318
+
319
+ ### Features
320
+
321
+ * expose signalsJoin ([5783bfc](https://github.com/cheminfo/nmr-processing/commit/5783bfc60c06fb366bce5b5ce153bd31676ad0bb))
322
+
323
+ ## [12.5.0](https://github.com/cheminfo/nmr-processing/compare/v12.4.0...v12.5.0) (2024-07-01)
324
+
325
+
326
+ ### Features
327
+
328
+ * enforce id poperty in DatabaseNMREntry ([#424](https://github.com/cheminfo/nmr-processing/issues/424)) ([1d3a40f](https://github.com/cheminfo/nmr-processing/commit/1d3a40f27d05a282b49e85de26030d5702957236))
329
+
330
+ ## [12.4.0](https://github.com/cheminfo/nmr-processing/compare/v12.3.2...v12.4.0) (2024-06-26)
331
+
332
+
333
+ ### Features
334
+
335
+ * predict use new HOSE code format ([#422](https://github.com/cheminfo/nmr-processing/issues/422)) ([9fd5291](https://github.com/cheminfo/nmr-processing/commit/9fd529151e975db28eb94cee78af9a81e1b57cb2))
336
+
337
+ ## [12.3.2](https://github.com/cheminfo/nmr-processing/compare/v12.3.1...v12.3.2) (2024-05-23)
338
+
339
+
340
+ ### Bug Fixes
341
+
342
+ * matrixToStocsy check the column ([8c27d18](https://github.com/cheminfo/nmr-processing/commit/8c27d18057144e2c2ef0aa933abdd8195aad1749))
343
+ * matrixToStocsy returns the average as y ([dfd6e1f](https://github.com/cheminfo/nmr-processing/commit/dfd6e1f5819146ab2071ac1f52ff32e8338f43a1))
344
+
345
+ ## [12.3.1](https://github.com/cheminfo/nmr-processing/compare/v12.3.0...v12.3.1) (2024-05-16)
346
+
347
+
348
+ ### Bug Fixes
349
+
350
+ * update dependencies to avoid default in dependencies ([c06bff9](https://github.com/cheminfo/nmr-processing/commit/c06bff9d9f2c27c66022b015a0a944ae5f427df3))
351
+
352
+ ## [12.3.0](https://github.com/cheminfo/nmr-processing/compare/v12.2.0...v12.3.0) (2024-05-16)
353
+
354
+
355
+ ### Features
356
+
357
+ * add regression to xyCalculateT1 result ([#410](https://github.com/cheminfo/nmr-processing/issues/410)) ([e0c1fdf](https://github.com/cheminfo/nmr-processing/commit/e0c1fdfdec6c02a198cd6c0516ea9b0ce5510bd3))
358
+ * add xyKineticFirstOrder function ([#409](https://github.com/cheminfo/nmr-processing/issues/409)) ([21c3b1d](https://github.com/cheminfo/nmr-processing/commit/21c3b1d31b932f37d19bc0779e648117e6513ccd))
359
+ * matrixToStocsy and matrixBoxPlot function ([#413](https://github.com/cheminfo/nmr-processing/issues/413)) ([df6a27c](https://github.com/cheminfo/nmr-processing/commit/df6a27c99edcb5f09f50674256fccf8b8109855d))
360
+
361
+ ## [12.2.0](https://github.com/cheminfo/nmr-processing/compare/v12.1.1...v12.2.0) (2024-04-16)
362
+
363
+
364
+ ### Features
365
+
366
+ * auto 2D phase correction filter ([#403](https://github.com/cheminfo/nmr-processing/issues/403)) ([34a5c7e](https://github.com/cheminfo/nmr-processing/commit/34a5c7e1ad99a903f7da93f837cca9ae733c740c))
367
+
368
+ ## [12.1.1](https://github.com/cheminfo/nmr-processing/compare/v12.1.0...v12.1.1) (2024-04-15)
369
+
370
+
371
+ ### Bug Fixes
372
+
373
+ * avoid peak picking in range detection for low data size ([#400](https://github.com/cheminfo/nmr-processing/issues/400)) ([d575d9e](https://github.com/cheminfo/nmr-processing/commit/d575d9e9e92b13238df2153897de5f95b456f767))
374
+
375
+ ## [12.1.0](https://github.com/cheminfo/nmr-processing/compare/v12.0.2...v12.1.0) (2024-04-09)
376
+
377
+
378
+ ### Features
379
+
380
+ * add 'assignment' to zone interface ([#398](https://github.com/cheminfo/nmr-processing/issues/398)) ([795c134](https://github.com/cheminfo/nmr-processing/commit/795c1346abe90e82f351b681d79056160a4f824d))
381
+
382
+ ## [12.0.2](https://github.com/cheminfo/nmr-processing/compare/v12.0.1...v12.0.2) (2024-03-22)
383
+
384
+
385
+ ### Bug Fixes
386
+
387
+ * phase correction 2D match bruker topspin result for ph0 values ([#396](https://github.com/cheminfo/nmr-processing/issues/396)) ([3652a0b](https://github.com/cheminfo/nmr-processing/commit/3652a0b737ecc216cff7c14e960b15f95f0b0537))
388
+
389
+ ## [12.0.1](https://github.com/cheminfo/nmr-processing/compare/v12.0.0...v12.0.1) (2024-03-15)
390
+
391
+
392
+ ### Bug Fixes
393
+
394
+ * import / export for api-extractor ([b7f2116](https://github.com/cheminfo/nmr-processing/commit/b7f2116880e983d7080119e2a5cf3b40aae35eb9))
395
+
396
+ ## [12.0.0](https://github.com/cheminfo/nmr-processing/compare/v11.11.0...v12.0.0) (2024-03-15)
397
+
398
+
399
+ ### ⚠ BREAKING CHANGES
400
+
401
+ * Carbon prediction now accepts an optional `predictor` function instead of the `webserviceURL`.
402
+
403
+ ### Features
404
+
405
+ * add br d ([#392](https://github.com/cheminfo/nmr-processing/issues/392)) ([6e5e471](https://github.com/cheminfo/nmr-processing/commit/6e5e471faa080ed3446b27f9c60b39d296b05c22))
406
+
407
+
408
+ ### Bug Fixes
409
+
410
+ * do not lowercase nucleus ([fc7fd51](https://github.com/cheminfo/nmr-processing/commit/fc7fd51ef38e549a7abde4ccf6fb14efedfe91d7))
411
+ * improve xy auto peak picking ([#393](https://github.com/cheminfo/nmr-processing/issues/393)) ([47080e7](https://github.com/cheminfo/nmr-processing/commit/47080e75aa7d44122fd60b1d225f77d80d22ebd7))
412
+
413
+
414
+ ### Code Refactoring
415
+
416
+ * rework prediction code for consistency and testability ([#394](https://github.com/cheminfo/nmr-processing/issues/394)) ([fbe5fd8](https://github.com/cheminfo/nmr-processing/commit/fbe5fd84909ccfd28195351ae112f304904b681c))
417
+
418
+ ## [11.11.0](https://github.com/cheminfo/nmr-processing/compare/v11.10.1...v11.11.0) (2024-02-26)
419
+
420
+
421
+ ### Features
422
+
423
+ * add modifiedGaussian window function ([#381](https://github.com/cheminfo/nmr-processing/issues/381)) ([eb1c2b0](https://github.com/cheminfo/nmr-processing/commit/eb1c2b002157e19a0f6e819aa4e5065fa873ae75))
424
+ * xyCalculateT1 function ([#368](https://github.com/cheminfo/nmr-processing/issues/368)) ([0a4ea41](https://github.com/cheminfo/nmr-processing/commit/0a4ea419f003f70fad38600b1f75d75cacf82447))
425
+
426
+
427
+ ### Bug Fixes
428
+
429
+ * phase correction 2D filter ([#387](https://github.com/cheminfo/nmr-processing/issues/387)) ([6b19c95](https://github.com/cheminfo/nmr-processing/commit/6b19c957abdb7c8db26cda8d0d222d13e134bb3b))
430
+ * rename windowFunctions ([#388](https://github.com/cheminfo/nmr-processing/issues/388)) ([b4a13af](https://github.com/cheminfo/nmr-processing/commit/b4a13afcdaca5561ea1e459af3a1c1a94662bc34))
431
+
432
+ ## [11.10.1](https://github.com/cheminfo/nmr-processing/compare/v11.10.0...v11.10.1) (2024-02-09)
433
+
434
+
435
+ ### Bug Fixes
436
+
437
+ * eslint new rule to prevent lookbehind ([fc729b9](https://github.com/cheminfo/nmr-processing/commit/fc729b9cea394c36cdce5be063671d1ce013e570))
438
+
439
+ ## [11.10.0](https://github.com/cheminfo/nmr-processing/compare/v11.9.0...v11.10.0) (2024-02-08)
440
+
441
+
442
+ ### Features
443
+
444
+ * add minWidth in getBaselineZones ([171d686](https://github.com/cheminfo/nmr-processing/commit/171d686a5e4bcdc5c5e1774372bf9079214fae18))
445
+
446
+ ## [11.9.0](https://github.com/cheminfo/nmr-processing/compare/v11.8.1...v11.9.0) (2024-02-07)
447
+
448
+
449
+ ### Features
450
+
451
+ * add getBaselineZones ([9f6a48c](https://github.com/cheminfo/nmr-processing/commit/9f6a48cfe1fc0b0101d7b72dd75f63e2817bab71))
452
+
453
+ ## [11.8.1](https://github.com/cheminfo/nmr-processing/compare/v11.8.0...v11.8.1) (2024-02-01)
454
+
455
+
456
+ ### Bug Fixes
457
+
458
+ * resurrect always returns frequency and nucleus ([8063ef9](https://github.com/cheminfo/nmr-processing/commit/8063ef90ae995afaa32f96c07c59f17036f3c306))
459
+
460
+ ## [11.8.0](https://github.com/cheminfo/nmr-processing/compare/v11.7.1...v11.8.0) (2024-02-01)
461
+
462
+
463
+ ### Features
464
+
465
+ * add logger to resurrect and deal with more formats ([#374](https://github.com/cheminfo/nmr-processing/issues/374)) ([8a1468c](https://github.com/cheminfo/nmr-processing/commit/8a1468ca0e3e3dbcf5f2c8733b60422cd1ecc08d))
466
+
467
+ ## [11.7.1](https://github.com/cheminfo/nmr-processing/compare/v11.7.0...v11.7.1) (2024-01-31)
468
+
469
+
470
+ ### Bug Fixes
471
+
472
+ * polynomial baseline correction gives correct result ([9074381](https://github.com/cheminfo/nmr-processing/commit/9074381a692a247c27f0daece21838089bb1a571))
473
+ * polynomial baseline correction gives correct result ([9074381](https://github.com/cheminfo/nmr-processing/commit/9074381a692a247c27f0daece21838089bb1a571))
474
+
475
+ ## [11.7.0](https://github.com/cheminfo/nmr-processing/compare/v11.6.1...v11.7.0) (2023-12-19)
476
+
477
+
478
+ ### Features
479
+
480
+ * add optional assignment in NMRRange ([197947e](https://github.com/cheminfo/nmr-processing/commit/197947e2d054f342bc1a80bc4c3760583555bb07))
481
+ * expose get2DErrorFactor and isZoneExists functions ([f48517a](https://github.com/cheminfo/nmr-processing/commit/f48517a879d0669c28308111eaedc69cb6cb8904))
482
+ * expose isRangeExists function ([4676bd2](https://github.com/cheminfo/nmr-processing/commit/4676bd21f61f4dd730b19aec3dc15056a9f0f2ed))
483
+
484
+
485
+ ### Bug Fixes
486
+
487
+ * symRatio option for pattern compilation from peaks ([#364](https://github.com/cheminfo/nmr-processing/issues/364)) ([fcbfb54](https://github.com/cheminfo/nmr-processing/commit/fcbfb54dd8b78ee7e1e192ae1b2f786a957e3087))
488
+
489
+ ## [11.6.1](https://github.com/cheminfo/nmr-processing/compare/v11.6.0...v11.6.1) (2023-12-04)
490
+
491
+
492
+ ### Bug Fixes
493
+
494
+ * improve auto phase correction ([#358](https://github.com/cheminfo/nmr-processing/issues/358)) ([ec6ee2f](https://github.com/cheminfo/nmr-processing/commit/ec6ee2f636f2779863a8274e51142736a4162617))
495
+
496
+ ## [11.6.0](https://github.com/cheminfo/nmr-processing/compare/v11.5.0...v11.6.0) (2023-11-17)
497
+
498
+
499
+ ### Features
500
+
501
+ * remove br | broad when splitPatterns ([efb1a4e](https://github.com/cheminfo/nmr-processing/commit/efb1a4ef84969be4b32489728cbdb8e11201076b))
502
+
503
+
504
+ ### Bug Fixes
505
+
506
+ * phase correction n fft 2d ([#356](https://github.com/cheminfo/nmr-processing/issues/356)) ([ecef570](https://github.com/cheminfo/nmr-processing/commit/ecef570f440f97ade2bce425504a5278d72dbc40))
507
+
508
+ ## [11.5.0](https://github.com/cheminfo/nmr-processing/compare/v11.4.1...v11.5.0) (2023-11-02)
509
+
510
+
511
+ ### Features
512
+
513
+ * more 2D filters ([#355](https://github.com/cheminfo/nmr-processing/issues/355)) ([e95a78c](https://github.com/cheminfo/nmr-processing/commit/e95a78cb3cea124c05f08e880d66384b4d2682ad))
514
+
515
+
516
+ ### Bug Fixes
517
+
518
+ * clear filter error ([89b30c7](https://github.com/cheminfo/nmr-processing/commit/89b30c7e0d9c0bc79e0298d9adbf9b7ae4be8ae4))
519
+ * prevent reprocessing of filters if the deleted filter is not active ([c74e7c6](https://github.com/cheminfo/nmr-processing/commit/c74e7c64ae9a390c8b7dcea87e6f0f946dd91d3a))
520
+
521
+ ## [11.4.1](https://github.com/cheminfo/nmr-processing/compare/v11.4.0...v11.4.1) (2023-10-23)
522
+
523
+
524
+ ### Bug Fixes
525
+
526
+ * add filter options linear prediction ([1b3d703](https://github.com/cheminfo/nmr-processing/commit/1b3d70319da850252377013654ac824bbef582a4))
527
+
528
+ ## [11.4.0](https://github.com/cheminfo/nmr-processing/compare/v11.3.0...v11.4.0) (2023-10-23)
529
+
530
+
531
+ ### Features
532
+
533
+ * TRAF window function n improve apodization 2D ([#348](https://github.com/cheminfo/nmr-processing/issues/348)) ([c07e0c2](https://github.com/cheminfo/nmr-processing/commit/c07e0c2507c2c71a5b2d6058fd5ee0334de57415))
534
+
535
+ ## [11.3.0](https://github.com/cheminfo/nmr-processing/compare/v11.2.3...v11.3.0) (2023-10-19)
536
+
537
+
538
+ ### Features
539
+
540
+ * apodization 2D filters ([#346](https://github.com/cheminfo/nmr-processing/issues/346)) ([6c019a0](https://github.com/cheminfo/nmr-processing/commit/6c019a0a442d20d8c849f1e71deb59fc6edad3fe))
541
+
542
+ ## [11.2.3](https://github.com/cheminfo/nmr-processing/compare/v11.2.2...v11.2.3) (2023-10-17)
543
+
544
+
545
+ ### Bug Fixes
546
+
547
+ * destruct Matrix correctly from ml-matrix ([f7ffd2a](https://github.com/cheminfo/nmr-processing/commit/f7ffd2a954688585e353f4323298331362bd6ff2))
548
+
549
+ ## [11.2.2](https://github.com/cheminfo/nmr-processing/compare/v11.2.1...v11.2.2) (2023-10-16)
550
+
551
+
552
+ ### Bug Fixes
553
+
554
+ * openchemlib explicit file extension ([4ef7afc](https://github.com/cheminfo/nmr-processing/commit/4ef7afc1a9074d5d57ac0c221c8e328d2152adbc))
555
+
556
+ ## [11.2.1](https://github.com/cheminfo/nmr-processing/compare/v11.2.0...v11.2.1) (2023-10-06)
557
+
558
+
559
+ ### Bug Fixes
560
+
561
+ * do not throw error if signals is empty ([#335](https://github.com/cheminfo/nmr-processing/issues/335)) ([a72a9d7](https://github.com/cheminfo/nmr-processing/commit/a72a9d787fa4b5b507e2b485ba6cc7d683ff6019))
562
+
563
+ ## [11.2.0](https://github.com/cheminfo/nmr-processing/compare/v11.1.2...v11.2.0) (2023-10-05)
564
+
565
+
566
+ ### Features
567
+
568
+ * add LinearPrediction filters ([#337](https://github.com/cheminfo/nmr-processing/issues/337)) ([ebccff2](https://github.com/cheminfo/nmr-processing/commit/ebccff24ec0018db3ff97ffc839596484c593885))
569
+
570
+ ## [11.1.2](https://github.com/cheminfo/nmr-processing/compare/v11.1.1...v11.1.2) (2023-10-02)
571
+
572
+
573
+ ### Bug Fixes
574
+
575
+ * bundle and minify distributed code ([#338](https://github.com/cheminfo/nmr-processing/issues/338)) ([a14c864](https://github.com/cheminfo/nmr-processing/commit/a14c86419118057e389afa867a94f4d42da02409))
576
+
577
+ ## [11.1.1](https://github.com/cheminfo/nmr-processing/compare/v11.1.0...v11.1.1) (2023-09-19)
578
+
579
+
580
+ ### Bug Fixes
581
+
582
+ * use better names for ACS formatting options ([34c3e90](https://github.com/cheminfo/nmr-processing/commit/34c3e90625adf773e8b6d31c265fb21f59ea8432))
583
+
584
+ ## [11.1.0](https://github.com/cheminfo/nmr-processing/compare/v11.0.1...v11.1.0) (2023-09-18)
585
+
586
+
587
+ ### Features
588
+
589
+ * use numeral in ACS generation ([#333](https://github.com/cheminfo/nmr-processing/issues/333)) ([bcbfd54](https://github.com/cheminfo/nmr-processing/commit/bcbfd542c31909ad817b38e33bd5065ceb47b0b1))
590
+
591
+
592
+ ### Bug Fixes
593
+
594
+ * remove modeResolution node16 ([2c64c30](https://github.com/cheminfo/nmr-processing/commit/2c64c30fef1754f044222dbd0308f958ddb06f32))
595
+
596
+ ## [11.0.1](https://github.com/cheminfo/nmr-processing/compare/v11.0.0...v11.0.1) (2023-09-11)
597
+
598
+
599
+ ### Bug Fixes
600
+
601
+ * update TypeScript build configuration ([#329](https://github.com/cheminfo/nmr-processing/issues/329)) ([c981d4a](https://github.com/cheminfo/nmr-processing/commit/c981d4a7c104bc29716fa0cd7839f3637265d2da))
602
+
603
+ ## [11.0.0](https://github.com/cheminfo/nmr-processing/compare/v10.0.7...v11.0.0) (2023-09-11)
604
+
605
+
606
+ ### ⚠ BREAKING CHANGES
607
+
608
+ * change keys prefix from 'origin' to 'original'
609
+
610
+ ### Bug Fixes
611
+
612
+ * change keys prefix from 'origin' to 'original' ([3709cee](https://github.com/cheminfo/nmr-processing/commit/3709cee9dda9853afff8d92d16b4a14ca99f9cef))
613
+ * check if the value is a number before summation ([7908c15](https://github.com/cheminfo/nmr-processing/commit/7908c15b80ed5dd4e6809912a4d0a6a1dbdc5792))
614
+
615
+ ## [10.0.7](https://github.com/cheminfo/nmr-processing/compare/v10.0.6...v10.0.7) (2023-08-24)
616
+
617
+
618
+ ### Bug Fixes
619
+
620
+ * update openchemlib-utils to 5.2.0 ([f372c4f](https://github.com/cheminfo/nmr-processing/commit/f372c4ffe5dbbbf59fe2398f6575bab8f76833e6))
621
+
622
+ ## [10.0.6](https://github.com/cheminfo/nmr-processing/compare/v10.0.5...v10.0.6) (2023-08-24)
623
+
624
+
625
+ ### Bug Fixes
626
+
627
+ * update ranges,zones,integrals and peaks when toggling a filter ([#318](https://github.com/cheminfo/nmr-processing/issues/318)) ([747891e](https://github.com/cheminfo/nmr-processing/commit/747891ef859a50f1bc2de8e2eeae7474894dccd6))
628
+
629
+ ## [10.0.5](https://github.com/cheminfo/nmr-processing/compare/v10.0.4...v10.0.5) (2023-08-16)
630
+
631
+
632
+ ### Bug Fixes
633
+
634
+ * prevent update the y domain for the baseline correction ([#312](https://github.com/cheminfo/nmr-processing/issues/312)) ([48af14e](https://github.com/cheminfo/nmr-processing/commit/48af14eec46c9191788b146040b52b0c8fe0e4fc))
635
+ * wrong checking of frequencies ([#314](https://github.com/cheminfo/nmr-processing/issues/314)) ([1676a0e](https://github.com/cheminfo/nmr-processing/commit/1676a0eb4a95d85f7478d9339f0805987ce2369b))
636
+
637
+ ## [10.0.4](https://github.com/cheminfo/nmr-processing/compare/v10.0.3...v10.0.4) (2023-08-16)
638
+
639
+
640
+ ### Bug Fixes
641
+
642
+ * reference correctly to integrals/ranges object ([#308](https://github.com/cheminfo/nmr-processing/issues/308)) ([351d95e](https://github.com/cheminfo/nmr-processing/commit/351d95ebc094cfceaf0e84d87ff01aebbaa5cad7))
643
+ * wrong groupedDiaID type ([#311](https://github.com/cheminfo/nmr-processing/issues/311)) ([7a717e4](https://github.com/cheminfo/nmr-processing/commit/7a717e479a87f0bd98ad3369d01d06a506614ef0))
644
+
645
+ ## [10.0.3](https://github.com/cheminfo/nmr-processing/compare/v10.0.2...v10.0.3) (2023-08-15)
646
+
647
+
648
+ ### Bug Fixes
649
+
650
+ * export isEmptyMolecule n isMolfileNotEmpty ([208036e](https://github.com/cheminfo/nmr-processing/commit/208036eea44cc4a8ca303ac1bcbd11056b556ca2))
651
+
652
+ ## [10.0.2](https://github.com/cheminfo/nmr-processing/compare/v10.0.1...v10.0.2) (2023-08-14)
653
+
654
+
655
+ ### Bug Fixes
656
+
657
+ * remove nmredata from deps ([4783fd0](https://github.com/cheminfo/nmr-processing/commit/4783fd07a6afca2be79d5bd255407e5bb5c12332))
658
+
659
+ ## [10.0.1](https://github.com/cheminfo/nmr-processing/compare/v10.0.0...v10.0.1) (2023-08-12)
660
+
661
+
662
+ ### Bug Fixes
663
+
664
+ * export PredictionBase[1|2]D types ([4fe8abf](https://github.com/cheminfo/nmr-processing/commit/4fe8abf6c259d387dbc0ddc6d666caebb5d5a4d3))
665
+
666
+ ## [10.0.0](https://github.com/cheminfo/nmr-processing/compare/v9.9.2...v10.0.0) (2023-08-11)
667
+
668
+
669
+ ### ⚠ BREAKING CHANGES
670
+
671
+ * only one function to predict spectra
672
+
673
+ ### Features
674
+
675
+ * only one function to predict spectra ([7a6fc62](https://github.com/cheminfo/nmr-processing/commit/7a6fc62ee852ae1febe191a9d3fa411d4afb0a88))
676
+
677
+ ## [9.9.2](https://github.com/cheminfo/nmr-processing/compare/v9.9.1...v9.9.2) (2023-08-10)
678
+
679
+
680
+ ### Bug Fixes
681
+
682
+ * do not destructure fetch import ([df35f65](https://github.com/cheminfo/nmr-processing/commit/df35f6575f812c7464c9c0d7c78b8f3e4cf68a77))
683
+
684
+ ## [9.9.1](https://github.com/cheminfo/nmr-processing/compare/v9.9.0...v9.9.1) (2023-08-09)
685
+
686
+
687
+ ### Bug Fixes
688
+
689
+ * shift 2D x and y filters reduced object ([#300](https://github.com/cheminfo/nmr-processing/issues/300)) ([0524680](https://github.com/cheminfo/nmr-processing/commit/0524680e865e0e4f2d8cafb5100e299a794d83b7))
690
+
691
+ ## [9.9.0](https://github.com/cheminfo/nmr-processing/compare/v9.8.1...v9.9.0) (2023-08-08)
692
+
693
+
694
+ ### Features
695
+
696
+ * update dependencies and use new ensureHeterotopicChiralBonds method ([1462c7f](https://github.com/cheminfo/nmr-processing/commit/1462c7f20d2d3ac04e16fbae883f442bfd7a0496))
697
+
698
+
699
+ ### Bug Fixes
700
+
701
+ * shift 2d ( x and y ) filters parameters ([#299](https://github.com/cheminfo/nmr-processing/issues/299)) ([ba05424](https://github.com/cheminfo/nmr-processing/commit/ba054246064d21190ec742705d260977976c3a3c))
702
+
703
+ ## [9.8.1](https://github.com/cheminfo/nmr-processing/compare/v9.8.0...v9.8.1) (2023-08-01)
704
+
705
+
706
+ ### Bug Fixes
707
+
708
+ * correct checking of fnMode ([dd41d00](https://github.com/cheminfo/nmr-processing/commit/dd41d002dcf04739eced6d3d3f1f9384a3e75962))
709
+
710
+ ## [9.8.0](https://github.com/cheminfo/nmr-processing/compare/v9.7.8...v9.8.0) (2023-08-01)
711
+
712
+
713
+ ### Features
714
+
715
+ * Fourier transform by dimension as filters ([5787e9d](https://github.com/cheminfo/nmr-processing/commit/5787e9db1b451fe5a879036d77e36e6c57f728c5))
716
+
717
+ ## [9.7.8](https://github.com/cheminfo/nmr-processing/compare/v9.7.7...v9.7.8) (2023-07-18)
718
+
719
+
720
+ ### Bug Fixes
721
+
722
+ * do not try to join long couplings ([#289](https://github.com/cheminfo/nmr-processing/issues/289)) ([9a5065f](https://github.com/cheminfo/nmr-processing/commit/9a5065f19b7fbcaf2f588483824400899fd8e792))
723
+ * spectrum 1D is only Float64Array ([0ffad58](https://github.com/cheminfo/nmr-processing/commit/0ffad583cd57b57545fadd316ff8d8329393affa))
724
+
725
+ ## [9.7.7](https://github.com/cheminfo/nmr-processing/compare/v9.7.6...v9.7.7) (2023-07-17)
726
+
727
+
728
+ ### Bug Fixes
729
+
730
+ * correct handling of integration in resurrect ([6c34134](https://github.com/cheminfo/nmr-processing/commit/6c3413474f00f403c1077ba81c0de824ab2b3df3))
731
+ * expose simulate1D ([#285](https://github.com/cheminfo/nmr-processing/issues/285)) ([356b950](https://github.com/cheminfo/nmr-processing/commit/356b9501bbbe47ae6078ddb045466e7459667b97))
732
+ * make optional most of SpinSystem ([#288](https://github.com/cheminfo/nmr-processing/issues/288)) ([03c5b03](https://github.com/cheminfo/nmr-processing/commit/03c5b0327bd48ec9cd3905f580ad1ac040bc2a5f))
733
+ * resurrect ACS string ([#286](https://github.com/cheminfo/nmr-processing/issues/286)) ([eca53cc](https://github.com/cheminfo/nmr-processing/commit/eca53ccd956278272f6d777b327c92de78c104a8))
734
+ * support for dot ended pattern names ([#287](https://github.com/cheminfo/nmr-processing/issues/287)) ([8e1e3c4](https://github.com/cheminfo/nmr-processing/commit/8e1e3c45c42f3cdfe753eced8923021fffa79952))
735
+
736
+ ## [9.7.6](https://github.com/cheminfo/nmr-processing/compare/v9.7.5...v9.7.6) (2023-07-14)
737
+
738
+
739
+ ### Bug Fixes
740
+
741
+ * expose simulate1D n reduce mandatory props in SpinSystem ([#282](https://github.com/cheminfo/nmr-processing/issues/282)) ([0d7628e](https://github.com/cheminfo/nmr-processing/commit/0d7628ed9ae704f4fda52dea925c754069ee8e09))
742
+
743
+ ## [9.7.5](https://github.com/cheminfo/nmr-processing/compare/v9.7.4...v9.7.5) (2023-07-11)
744
+
745
+
746
+ ### Bug Fixes
747
+
748
+ * avoid rescaling if intensity data is zero ([#280](https://github.com/cheminfo/nmr-processing/issues/280)) ([954eeb0](https://github.com/cheminfo/nmr-processing/commit/954eeb039e236260421683799b301c20ac7ddbfa))
749
+
750
+ ## [9.7.4](https://github.com/cheminfo/nmr-processing/compare/v9.7.3...v9.7.4) (2023-07-06)
751
+
752
+
753
+ ### Bug Fixes
754
+
755
+ * throw error if windowSize is invalid ([#277](https://github.com/cheminfo/nmr-processing/issues/277)) ([0441750](https://github.com/cheminfo/nmr-processing/commit/044175086adb029881de2b6402fdbc28c8bcc953))
756
+
757
+ ## [9.7.3](https://github.com/cheminfo/nmr-processing/compare/v9.7.2...v9.7.3) (2023-06-30)
758
+
759
+
760
+ ### Bug Fixes
761
+
762
+ * check predictions before simulate in predictAll ([#275](https://github.com/cheminfo/nmr-processing/issues/275)) ([067502d](https://github.com/cheminfo/nmr-processing/commit/067502d2ef6e58c9b95d874f9c19671c5b2fadd6))
763
+
764
+ ## [9.7.2](https://github.com/cheminfo/nmr-processing/compare/v9.7.1...v9.7.2) (2023-06-26)
765
+
766
+
767
+ ### Bug Fixes
768
+
769
+ * simulation of negative chemical shifts ([#273](https://github.com/cheminfo/nmr-processing/issues/273)) ([17782b8](https://github.com/cheminfo/nmr-processing/commit/17782b8ae04402e9ed713b87cf84a5bed5704261))
770
+
771
+ ## [9.7.1](https://github.com/cheminfo/nmr-processing/compare/v9.7.0...v9.7.1) (2023-06-15)
772
+
773
+
774
+ ### Bug Fixes
775
+
776
+ * update apodization filter ([7e40c74](https://github.com/cheminfo/nmr-processing/commit/7e40c74b01c5a5b5e5ba04fa885e6b0b5874abbe))
777
+
778
+ ## [9.7.0](https://github.com/cheminfo/nmr-processing/compare/v9.6.1...v9.7.0) (2023-06-14)
779
+
780
+
781
+ ### Features
782
+
783
+ * update impurities databases and add missing multiplicity ([#268](https://github.com/cheminfo/nmr-processing/issues/268)) ([c92b135](https://github.com/cheminfo/nmr-processing/commit/c92b135e46a747a0c5ccb47f934d2e9d112ac932))
784
+
785
+ ## [9.6.1](https://github.com/cheminfo/nmr-processing/compare/v9.6.0...v9.6.1) (2023-06-09)
786
+
787
+
788
+ ### Bug Fixes
789
+
790
+ * mapRanges accepts NMRRange ([#266](https://github.com/cheminfo/nmr-processing/issues/266)) ([1c970aa](https://github.com/cheminfo/nmr-processing/commit/1c970aa667e8e185c8eddef0863523ed3fbea775))
791
+
792
+ ## [9.6.0](https://github.com/cheminfo/nmr-processing/compare/v9.5.1...v9.6.0) (2023-06-08)
793
+
794
+
795
+ ### Features
796
+
797
+ * add filtermanager n xyzBidimensionalFFT ([#237](https://github.com/cheminfo/nmr-processing/issues/237)) ([3a0dd50](https://github.com/cheminfo/nmr-processing/commit/3a0dd5093bf150431cc9fce337d46cb8bba3f53e))
798
+
799
+ ## [9.5.1](https://github.com/cheminfo/nmr-processing/compare/v9.5.0...v9.5.1) (2023-06-05)
800
+
801
+
802
+ ### Bug Fixes
803
+
804
+ * avoid crash when predict spectra from an empty molecule ([#258](https://github.com/cheminfo/nmr-processing/issues/258)) ([ae8a364](https://github.com/cheminfo/nmr-processing/commit/ae8a364de844da0c1c7147363e54265535ed9317))
805
+
806
+ ## [9.5.0](https://github.com/cheminfo/nmr-processing/compare/v9.4.1...v9.5.0) (2023-05-17)
807
+
808
+
809
+ ### Features
810
+
811
+ * exposed xyzAutoSignalsPicking ([4b07000](https://github.com/cheminfo/nmr-processing/commit/4b0700059cd709ecf8a94dd73c59109cc5bf2d86))
812
+ * normalizeNucleus n multiplicity utils ([84aa56b](https://github.com/cheminfo/nmr-processing/commit/84aa56bfcda92081aee731cc4c5e36b0de92fd96))
813
+
814
+
815
+ ### Bug Fixes
816
+
817
+ * add acs suggested multiplicity ([#256](https://github.com/cheminfo/nmr-processing/issues/256)) ([cd8345a](https://github.com/cheminfo/nmr-processing/commit/cd8345adf0e85cb971870d95a2fd08cf2e5aaebb))
818
+
819
+ ## [9.4.1](https://github.com/cheminfo/nmr-processing/compare/v9.4.0...v9.4.1) (2023-05-11)
820
+
821
+
822
+ ### Bug Fixes
823
+
824
+ * add MultiplicityPatterns constant to be used everywhere ([#251](https://github.com/cheminfo/nmr-processing/issues/251)) ([b9f5967](https://github.com/cheminfo/nmr-processing/commit/b9f59679896167cbcbcc2688822b11c2b2d1ba12))
825
+
826
+ ## [9.4.0](https://github.com/cheminfo/nmr-processing/compare/v9.3.8...v9.4.0) (2023-05-04)
827
+
828
+
829
+ ### Features
830
+
831
+ * expose signalJoinCouplings ([#249](https://github.com/cheminfo/nmr-processing/issues/249)) ([b0f5361](https://github.com/cheminfo/nmr-processing/commit/b0f53615a8828d237705b0fa8c5cabef34bf6b67))
832
+
833
+ ## [9.3.8](https://github.com/cheminfo/nmr-processing/compare/v9.3.7...v9.3.8) (2023-03-24)
834
+
835
+
836
+ ### Bug Fixes
837
+
838
+ * update dependencies ([59f6d27](https://github.com/cheminfo/nmr-processing/commit/59f6d27f099a3e21bf30f5ca9044b846e2fb5501))
839
+
840
+ ## [9.3.7](https://github.com/cheminfo/nmr-processing/compare/v9.3.6...v9.3.7) (2023-03-24)
841
+
842
+
843
+ ### Bug Fixes
844
+
845
+ * only timeout during tree exploration ([e0db1c2](https://github.com/cheminfo/nmr-processing/commit/e0db1c2f9a1483d32e787f3e91c78170087b7002))
846
+
847
+ ## [9.3.6](https://github.com/cheminfo/nmr-processing/compare/v9.3.5...v9.3.6) (2023-02-14)
848
+
849
+
850
+ ### Bug Fixes
851
+
852
+ * update from-to in range from resurrect ([#240](https://github.com/cheminfo/nmr-processing/issues/240)) ([b328f6b](https://github.com/cheminfo/nmr-processing/commit/b328f6b71e1e036b1f0c9c0614b7c5fd7c0806f2))
853
+
854
+ ## [9.3.5](https://github.com/cheminfo/nmr-processing/compare/v9.3.4...v9.3.5) (2023-02-07)
855
+
856
+
857
+ ### Bug Fixes
858
+
859
+ * support br s multiplicity in resurrect ACS ([d160933](https://github.com/cheminfo/nmr-processing/commit/d160933c7fa3d8969ad67daef6088a150abeba3e))
860
+
861
+ ## [9.3.4](https://github.com/cheminfo/nmr-processing/compare/v9.3.3...v9.3.4) (2023-02-06)
862
+
863
+
864
+ ### Bug Fixes
865
+
866
+ * avoid duplicate diaIds in getAssignments ([14f3fe6](https://github.com/cheminfo/nmr-processing/commit/14f3fe679904b72b575929d49122a665f1c6de3f))
867
+
868
+ ## [9.3.3](https://github.com/cheminfo/nmr-processing/compare/v9.3.2...v9.3.3) (2022-12-22)
869
+
870
+
871
+ ### Bug Fixes
872
+
873
+ * **rangeToACS:** don't guess multiplicity ([#234](https://github.com/cheminfo/nmr-processing/issues/234)) ([21ca3ea](https://github.com/cheminfo/nmr-processing/commit/21ca3eaf49e5dccc1b1cddfad3bc093802875c9e))
874
+
875
+ ## [9.3.2](https://github.com/cheminfo/nmr-processing/compare/v9.3.1...v9.3.2) (2022-12-01)
876
+
877
+
878
+ ### Bug Fixes
879
+
880
+ * 2D data structure in predictAllSpectra. ([#232](https://github.com/cheminfo/nmr-processing/issues/232)) ([0db7f49](https://github.com/cheminfo/nmr-processing/commit/0db7f49c79606166d8d5f83609f8fc45f231bb89))
881
+ * generate diaIDs only one time in predictAll ([#228](https://github.com/cheminfo/nmr-processing/issues/228)) ([7974b74](https://github.com/cheminfo/nmr-processing/commit/7974b74b8ae32e4962d1fd2afdefb08673c45e0c))
882
+
883
+ ## [9.3.1](https://github.com/cheminfo/nmr-processing/compare/v9.3.0...v9.3.1) (2022-11-25)
884
+
885
+
886
+ ### Bug Fixes
887
+
888
+ * windowSize depend of data n frequency ([#226](https://github.com/cheminfo/nmr-processing/issues/226)) ([0cfdcdc](https://github.com/cheminfo/nmr-processing/commit/0cfdcdc5a516f010a08fb6d0c3ccbdbea202fc39))
889
+
890
+ ## [9.3.0](https://github.com/cheminfo/nmr-processing/compare/v9.2.0...v9.3.0) (2022-11-13)
891
+
892
+
893
+ ### Features
894
+
895
+ * generate FID from signals ([#220](https://github.com/cheminfo/nmr-processing/issues/220)) ([8d84972](https://github.com/cheminfo/nmr-processing/commit/8d8497275e57323b4757d1db96f6d7b4ea29114c))
896
+
897
+
898
+ ### Documentation
899
+
900
+ * add link to Zenodo ([a88e14a](https://github.com/cheminfo/nmr-processing/commit/a88e14ad1e491e17db770fe2010e7571954f1ae2))
901
+
902
+ ## [9.2.0](https://github.com/cheminfo/nmr-processing/compare/v9.1.0...v9.2.0) (2022-09-23)
903
+
904
+
905
+ ### Features
906
+
907
+ * add optimizeSignals ([#218](https://github.com/cheminfo/nmr-processing/issues/218)) ([fdef015](https://github.com/cheminfo/nmr-processing/commit/fdef015818324418e2aeeb917d6cf76d63c8d507))
908
+
909
+
910
+ ### Bug Fixes
911
+
912
+ * defualt parameters for 1D prediction ([a28a502](https://github.com/cheminfo/nmr-processing/commit/a28a502938af570ca447157591e2830be848bd4e))
913
+
914
+ ## [9.1.0](https://github.com/cheminfo/nmr-processing/compare/v9.0.3...v9.1.0) (2022-09-01)
915
+
916
+
917
+ ### Features
918
+
919
+ * peak, signal, range, zones will have id ([#212](https://github.com/cheminfo/nmr-processing/issues/212)) ([408e863](https://github.com/cheminfo/nmr-processing/commit/408e863e8038dc87a2afef74d4be4af6cc420f1c))
920
+
921
+
922
+ ### Bug Fixes
923
+
924
+ * **convertWidth:** pure function ([#208](https://github.com/cheminfo/nmr-processing/issues/208)) ([e73946b](https://github.com/cheminfo/nmr-processing/commit/e73946b0424dbde27c63e52fc0118859e5cc8384)), closes [#201](https://github.com/cheminfo/nmr-processing/issues/201)
925
+
926
+ ## [9.0.3](https://github.com/cheminfo/nmr-processing/compare/v9.0.2...v9.0.3) (2022-08-15)
927
+
928
+
929
+ ### Bug Fixes
930
+
931
+ * update dependencies ([812028a](https://github.com/cheminfo/nmr-processing/commit/812028a5acf5fca1c5a849ffcc2c33c4b87c438f))
932
+
933
+ ## [9.0.2](https://github.com/cheminfo/nmr-processing/compare/v9.0.1...v9.0.2) (2022-08-11)
934
+
935
+
936
+ ### Bug Fixes
937
+
938
+ * **convertWidth:** make pure n add ouput option ([e178c26](https://github.com/cheminfo/nmr-processing/commit/e178c26605f70968e0a3a6490a2320df357b304a))
939
+ * **peaksToXY:** refactor, default from to. ([8c53ac9](https://github.com/cheminfo/nmr-processing/commit/8c53ac93299cea691963b918685459e163e3bcd1))
940
+ * **xyAutoPeaksPicking:** return width in Hz ([2ad127e](https://github.com/cheminfo/nmr-processing/commit/2ad127e73dd25db2ff70f97df386b7efd9f4a7e4))
941
+ * **xyPeaksOptimization:** width in Hz ([d4183f1](https://github.com/cheminfo/nmr-processing/commit/d4183f136ac64aef0b8a31d97e69830c14d5b103))
942
+
943
+ ## [9.0.1](https://github.com/cheminfo/nmr-processing/compare/v9.0.0...v9.0.1) (2022-08-10)
944
+
945
+
946
+ ### Bug Fixes
947
+
948
+ * methods dependents of peak width ([#197](https://github.com/cheminfo/nmr-processing/issues/197)) ([5a083ef](https://github.com/cheminfo/nmr-processing/commit/5a083ef3d105f2f6a8a8af8868ae1f4ea5b4b26b)), closes [#195](https://github.com/cheminfo/nmr-processing/issues/195)
949
+
950
+ ## [9.0.0](https://github.com/cheminfo/nmr-processing/compare/v8.7.2...v9.0.0) (2022-08-10)
951
+
952
+
953
+ ### ⚠ BREAKING CHANGES
954
+
955
+ * peakPicking returns width in Hz
956
+
957
+ ### Features
958
+
959
+ * peakPicking returns width in Hz ([9182d31](https://github.com/cheminfo/nmr-processing/commit/9182d31c9f2293c8d39a6b33c6f71240a3947db5))
960
+
961
+ ## [8.7.2](https://github.com/cheminfo/nmr-processing/compare/v8.7.1...v8.7.2) (2022-08-10)
962
+
963
+
964
+ ### Bug Fixes
965
+
966
+ * Revert "fix(xyAutoPeakPicking): width returned in Hz ([#193](https://github.com/cheminfo/nmr-processing/issues/193))" ([eb1e152](https://github.com/cheminfo/nmr-processing/commit/eb1e152e7e28628a75dc5e9bad5f0d0bf0fab444))
967
+
968
+ ## [8.7.1](https://github.com/cheminfo/nmr-processing/compare/v8.7.0...v8.7.1) (2022-08-10)
969
+
970
+
971
+ ### Bug Fixes
972
+
973
+ * **xyAutoPeakPicking:** width returned in Hz ([#193](https://github.com/cheminfo/nmr-processing/issues/193)) ([3c590bd](https://github.com/cheminfo/nmr-processing/commit/3c590bdf40f255a677d9b94c5cf6a7014cfe52d5)), closes [#192](https://github.com/cheminfo/nmr-processing/issues/192)
974
+
975
+ ## [8.7.0](https://github.com/cheminfo/nmr-processing/compare/v8.6.1...v8.7.0) (2022-08-09)
976
+
977
+
978
+ ### Features
979
+
980
+ * add peaksToXY n peakToXY functions ([6d50c6c](https://github.com/cheminfo/nmr-processing/commit/6d50c6c76f0d6343667ca1c13cda39613752a3f3))
981
+
982
+ ## [8.6.1](https://github.com/cheminfo/nmr-processing/compare/v8.6.0...v8.6.1) (2022-08-08)
983
+
984
+
985
+ ### Bug Fixes
986
+
987
+ * exports xyPeaksOptimization ([6c0087c](https://github.com/cheminfo/nmr-processing/commit/6c0087ce442927713dc38f42e57abbb79bca47c8))
988
+
989
+ ## [8.6.0](https://github.com/cheminfo/nmr-processing/compare/v8.5.1...v8.6.0) (2022-08-08)
990
+
991
+
992
+ ### Features
993
+
994
+ * add xyPeaksOptimization function ([#188](https://github.com/cheminfo/nmr-processing/issues/188)) ([2a17863](https://github.com/cheminfo/nmr-processing/commit/2a1786379b6411847962b427d20eaeaf70987134)), closes [#183](https://github.com/cheminfo/nmr-processing/issues/183)
995
+
996
+ ## [8.5.1](https://github.com/cheminfo/nmr-processing/compare/v8.5.0...v8.5.1) (2022-08-05)
997
+
998
+
999
+ ### Bug Fixes
1000
+
1001
+ * update ml-gsd ([dbe842c](https://github.com/cheminfo/nmr-processing/commit/dbe842c35835bda1667a6f2a30ba4d75e60a0518))
1002
+
1003
+ ## [8.5.0](https://github.com/cheminfo/nmr-processing/compare/v8.4.0...v8.5.0) (2022-08-04)
1004
+
1005
+
1006
+ ### Features
1007
+
1008
+ * **xyAutoPeaksPicking:** add lookFor options ([#184](https://github.com/cheminfo/nmr-processing/issues/184)) ([65351b6](https://github.com/cheminfo/nmr-processing/commit/65351b603ad53875d95e7f3bab4c0cb1ae5a3fee))
1009
+
1010
+ ## [8.4.0](https://github.com/cheminfo/nmr-processing/compare/v8.3.1...v8.4.0) (2022-07-29)
1011
+
1012
+
1013
+ ### Features
1014
+
1015
+ * **xyAutoPeakPicking:** add lookPositive option ([#181](https://github.com/cheminfo/nmr-processing/issues/181)) ([5f8e7d1](https://github.com/cheminfo/nmr-processing/commit/5f8e7d1072b11ce62a71883f0dd1855883988b61)), closes [#180](https://github.com/cheminfo/nmr-processing/issues/180)
1016
+
1017
+ ## [8.3.1](https://github.com/cheminfo/nmr-processing/compare/v8.3.0...v8.3.1) (2022-07-26)
1018
+
1019
+
1020
+ ### Bug Fixes
1021
+
1022
+ * hide compose function ([1c768c0](https://github.com/cheminfo/nmr-processing/commit/1c768c0360702c913bbcc76785bf256c08b8282a))
1023
+ * **prediction:** not empty string in multiplicity ([ea4d1f4](https://github.com/cheminfo/nmr-processing/commit/ea4d1f4f0707ceb120e4007d2c4a24bbd9491204)), closes [#176](https://github.com/cheminfo/nmr-processing/issues/176)
1024
+ * recover README ([8bf7eb0](https://github.com/cheminfo/nmr-processing/commit/8bf7eb0c3bd23ef9dc8d2d6c1399ab7206e17f5c)), closes [#136](https://github.com/cheminfo/nmr-processing/issues/136)
1025
+
1026
+ ## [8.3.0](https://github.com/cheminfo/nmr-processing/compare/v8.2.0...v8.3.0) (2022-07-21)
1027
+
1028
+
1029
+ ### Features
1030
+
1031
+ * add ocl parameter in DatabaseNMREntry ([cf72e66](https://github.com/cheminfo/nmr-processing/commit/cf72e66f2772b0d6e5ff6793ab6ccc9ebee4e1d7))
1032
+ * apodization and compose functions ([4a5ec98](https://github.com/cheminfo/nmr-processing/commit/4a5ec98d7d75752474d6bd1f5f2f29df4c3ccd3d))
1033
+
1034
+
1035
+ ### Bug Fixes
1036
+
1037
+ * solvent suppresion for single peak ([eeb15b1](https://github.com/cheminfo/nmr-processing/commit/eeb15b108e241828c4a02f955d2b8a4262f7e826))
1038
+ * update dependencies ([#174](https://github.com/cheminfo/nmr-processing/issues/174)) ([7812cd7](https://github.com/cheminfo/nmr-processing/commit/7812cd7d729df796ca56725523e295b328efa1d5))
1039
+
1040
+ ## [8.2.0](https://github.com/cheminfo/nmr-processing/compare/v8.1.0...v8.2.0) (2022-06-27)
1041
+
1042
+
1043
+ ### Features
1044
+
1045
+ * add options n function ([#170](https://github.com/cheminfo/nmr-processing/issues/170)) ([e6280d0](https://github.com/cheminfo/nmr-processing/commit/e6280d08d4e6750945a0b25e40bfba61ff9a82e9))
1046
+
1047
+ ## [8.1.0](https://github.com/cheminfo/nmr-processing/compare/v8.0.0...v8.1.0) (2022-05-26)
1048
+
1049
+
1050
+ ### Features
1051
+
1052
+ * add new solvent suppression method ([#167](https://github.com/cheminfo/nmr-processing/issues/167)) ([163bf90](https://github.com/cheminfo/nmr-processing/commit/163bf906ef94de2010ab02f140b425b959ae3838))
1053
+
1054
+
1055
+ ### Bug Fixes
1056
+
1057
+ * get default from-to based on nucleus n ranges ([#169](https://github.com/cheminfo/nmr-processing/issues/169)) ([f2cdebc](https://github.com/cheminfo/nmr-processing/commit/f2cdebc8296deeec16eda70b49408fb2c8317fde))
1058
+ * remove fwhm from NMRPeak1D ([6c7423d](https://github.com/cheminfo/nmr-processing/commit/6c7423d8b3053173cfb2580992338231a3d5fec4))
1059
+
1060
+ ## [8.0.0](https://github.com/cheminfo/nmr-processing/compare/v7.4.3...v8.0.0) (2022-05-04)
1061
+
1062
+
1063
+ ### ⚠ BREAKING CHANGES
1064
+
1065
+ * In the returned value of `xyAutoPeaksPicking`, `fwhm` is now part of the `shape` property of a peak.
1066
+
1067
+ ### Features
1068
+
1069
+ * add possibility to load datbase from json ([dcbec8f](https://github.com/cheminfo/nmr-processing/commit/dcbec8fadb8ad86c629030145d19c7ece5b8ea05))
1070
+
1071
+
1072
+ ### Bug Fixes
1073
+
1074
+ * close [#161](https://github.com/cheminfo/nmr-processing/issues/161) ([#164](https://github.com/cheminfo/nmr-processing/issues/164)) ([e01be9b](https://github.com/cheminfo/nmr-processing/commit/e01be9b1635821c55f91628c1ee655fb73edc24c))
1075
+
1076
+
1077
+ ### Miscellaneous Chores
1078
+
1079
+ * update dependencies ([5c40b9b](https://github.com/cheminfo/nmr-processing/commit/5c40b9bbd44daf4dbd076a6e75b312869e338217))
1080
+
1081
+ ### [7.4.3](https://github.com/cheminfo/nmr-processing/compare/v7.4.2...v7.4.3) (2022-04-04)
1082
+
1083
+
1084
+ ### Bug Fixes
1085
+
1086
+ * internally rescale integration value ([#162](https://github.com/cheminfo/nmr-processing/issues/162)) ([9fe10e2](https://github.com/cheminfo/nmr-processing/commit/9fe10e22b1b1ad58f42d271819941b1b9192237e)), closes [#160](https://github.com/cheminfo/nmr-processing/issues/160)
1087
+
1088
+ ### [7.4.2](https://github.com/cheminfo/nmr-processing/compare/v7.4.1...v7.4.2) (2022-03-31)
1089
+
1090
+
1091
+ ### Bug Fixes
1092
+
1093
+ * move types related to getAssignments ([#158](https://github.com/cheminfo/nmr-processing/issues/158)) ([7a9c54e](https://github.com/cheminfo/nmr-processing/commit/7a9c54eb2b4b81be5754a2ef4a0918f82fc9c7a4))
1094
+
1095
+ ### [7.4.1](https://github.com/cheminfo/nmr-processing/compare/v7.4.0...v7.4.1) (2022-03-29)
1096
+
1097
+
1098
+ ### Bug Fixes
1099
+
1100
+ * **gyromagneticRatio:** reverse exported name ([6d1de8f](https://github.com/cheminfo/nmr-processing/commit/6d1de8ffc84f536dd8938483e2f9882e3094e381))
1101
+
1102
+ ## [7.4.0](https://github.com/cheminfo/nmr-processing/compare/v7.3.0...v7.4.0) (2022-03-28)
1103
+
1104
+
1105
+ ### Features
1106
+
1107
+ * add getFrequency function ([#150](https://github.com/cheminfo/nmr-processing/issues/150)) ([9e6fbc9](https://github.com/cheminfo/nmr-processing/commit/9e6fbc9bef1a9a853b9956fa56e2aa112194786c))
1108
+
1109
+
1110
+ ### Bug Fixes
1111
+
1112
+ * **signals2DToZ:** avoid reference n merge peaks ([#154](https://github.com/cheminfo/nmr-processing/issues/154)) ([7a76e4c](https://github.com/cheminfo/nmr-processing/commit/7a76e4c9090fb7b6462be3c50d509c9d28617349))
1113
+
1114
+ ## [7.3.0](https://github.com/cheminfo/nmr-processing/compare/v7.2.0...v7.3.0) (2022-03-25)
1115
+
1116
+
1117
+ ### Features
1118
+
1119
+ * update dependencies ([d2a5b06](https://github.com/cheminfo/nmr-processing/commit/d2a5b062c9ead0ea53e1ba1b20d1c8e136a4423a))
1120
+
1121
+ ## [7.2.0](https://github.com/cheminfo/nmr-processing/compare/v7.1.0...v7.2.0) (2022-03-24)
1122
+
1123
+
1124
+ ### Features
1125
+
1126
+ * automatic assignment of spectra ([#148](https://github.com/cheminfo/nmr-processing/issues/148)) ([8876c52](https://github.com/cheminfo/nmr-processing/commit/8876c526d2c38bed978fa990f4b32f2de941d137))
1127
+
1128
+ ## [7.1.0](https://github.com/cheminfo/nmr-processing/compare/v7.0.1...v7.1.0) (2022-03-03)
1129
+
1130
+
1131
+ ### Features
1132
+
1133
+ * experiment feature of predictAllSpectra ([a6395d8](https://github.com/cheminfo/nmr-processing/commit/a6395d84a708c24418ed256fa15db75a8d14f0c4))
1134
+
1135
+ ### [7.0.1](https://www.github.com/cheminfo/nmr-processing/compare/v7.0.0...v7.0.1) (2022-02-25)
1136
+
1137
+
1138
+ ### Bug Fixes
1139
+
1140
+ * update dependencies ([a92d97a](https://www.github.com/cheminfo/nmr-processing/commit/a92d97af28cd74a8764ffc3efaccc62d3bf244c9))
1141
+
1142
+ ## [7.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.8...v7.0.0) (2022-02-23)
1143
+
1144
+
1145
+ ### ⚠ BREAKING CHANGES
1146
+
1147
+ * update ml-gsd to 10.1.1 (#142)
1148
+
1149
+ ### Features
1150
+
1151
+ * update ml-gsd to 10.1.1 ([#142](https://www.github.com/cheminfo/nmr-processing/issues/142)) ([a10b598](https://www.github.com/cheminfo/nmr-processing/commit/a10b598e25a3e6c5265e8198336a4b1ed7030020))
1152
+
1153
+
1154
+ ### Bug Fixes
1155
+
1156
+ * remove lookbehind in regexp of resurrectRange ([e0d01a9](https://www.github.com/cheminfo/nmr-processing/commit/e0d01a97a6a6dd8009b2aea94c27e41172eca04a))
1157
+
1158
+ ### [6.0.8](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.7...v6.0.8) (2022-02-07)
1159
+
1160
+
1161
+ ### Bug Fixes
1162
+
1163
+ * update ml-spectrum-generator to 6.0.3 ([9056bba](https://www.github.com/cheminfo/nmr-processing/commit/9056bbac562eb1ffb3c3aad5f6fb1bb16a8e6008))
1164
+
1165
+ ### [6.0.7](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.6...v6.0.7) (2022-02-03)
1166
+
1167
+
1168
+ ### Bug Fixes
1169
+
1170
+ * increment peak height in signal2DToZ ([652c11b](https://www.github.com/cheminfo/nmr-processing/commit/652c11bce0fd93a4b8e047d468284ba5e0575625))
1171
+
1172
+ ### [6.0.6](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.5...v6.0.6) (2022-01-27)
1173
+
1174
+
1175
+ ### Bug Fixes
1176
+
1177
+ * update dependencies add add missing test files ([36fae4f](https://www.github.com/cheminfo/nmr-processing/commit/36fae4fea40d2aeb110bcaa0d52788914dbb680b))
1178
+ * xyAutoPeaksPicking yielding no peaks ([4fcc426](https://www.github.com/cheminfo/nmr-processing/commit/4fcc4267f73e6dd13c0541de2c17d906df723408))
1179
+
1180
+ ### [6.0.5](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.4...v6.0.5) (2022-01-26)
1181
+
1182
+
1183
+ ### Bug Fixes
1184
+
1185
+ * resolve indexing error on joinRanges function ([#134](https://www.github.com/cheminfo/nmr-processing/issues/134)) ([c5ec982](https://www.github.com/cheminfo/nmr-processing/commit/c5ec9825d6f80873983ace7aa21766e65c274f6d))
1186
+
1187
+ ### [6.0.4](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.3...v6.0.4) (2022-01-23)
1188
+
1189
+
1190
+ ### Bug Fixes
1191
+
1192
+ * import levenberg-marquardt correctly ([1f8a84c](https://www.github.com/cheminfo/nmr-processing/commit/1f8a84c35b1130338fcc58b49bb9ef71e27aeb73))
1193
+
1194
+ ### [6.0.3](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.2...v6.0.3) (2022-01-23)
1195
+
1196
+
1197
+ ### Bug Fixes
1198
+
1199
+ * update dependencies ([2dcd4e3](https://www.github.com/cheminfo/nmr-processing/commit/2dcd4e332112231e4e27ff10a373792f1521a7ed))
1200
+ * web browser build ([08bc00f](https://www.github.com/cheminfo/nmr-processing/commit/08bc00f006735da794c07cb29dfc2520a4e283dc))
1201
+
1202
+ ### [6.0.2](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.1...v6.0.2) (2021-12-15)
1203
+
1204
+
1205
+ ### Bug Fixes
1206
+
1207
+ * remove circular dependency of ml-gsd ([d1cdec1](https://www.github.com/cheminfo/nmr-processing/commit/d1cdec1106d914d43baa6aff0e9fd1ef74d71fc6))
1208
+
1209
+ ### [6.0.1](https://www.github.com/cheminfo/nmr-processing/compare/v6.0.0...v6.0.1) (2021-12-14)
1210
+
1211
+
1212
+ ### Bug Fixes
1213
+
1214
+ * remove types folder ([#129](https://www.github.com/cheminfo/nmr-processing/issues/129)) close [#128](https://www.github.com/cheminfo/nmr-processing/issues/128) close [#127](https://www.github.com/cheminfo/nmr-processing/issues/127) ([19b80be](https://www.github.com/cheminfo/nmr-processing/commit/19b80bea315953348ef03e9219b0d96f20ba224a))
1215
+ * update dependencies ([e994cca](https://www.github.com/cheminfo/nmr-processing/commit/e994cca910d8d9e3abaaf496a011645242ec1bbb))
1216
+
1217
+ ## [6.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v5.0.0...v6.0.0) (2021-12-01)
1218
+
1219
+
1220
+ ### ⚠ BREAKING CHANGES
1221
+
1222
+ * rename Jcoupling.distance to Jcoupling.pathLength
1223
+
1224
+ ### Features
1225
+
1226
+ * remove from/to from Signals2D and add j in NMRSignal2D ([14c8150](https://www.github.com/cheminfo/nmr-processing/commit/14c8150a7853c6f038fc588311bb31b993f5e306))
1227
+ * rename Jcoupling.distance to Jcoupling.pathLength ([6630677](https://www.github.com/cheminfo/nmr-processing/commit/6630677e04d874d089e380a0b1d4c08c53f3c687))
1228
+
1229
+
1230
+ ### Bug Fixes
1231
+
1232
+ * adaptation rename distance to pathLength in jCoupling interface ([78b1af9](https://www.github.com/cheminfo/nmr-processing/commit/78b1af9295cc2a020f3f579513cea44021130471))
1233
+ * update dependencies n fix eslint ([dc9e8d4](https://www.github.com/cheminfo/nmr-processing/commit/dc9e8d405153932142ae5a339000cec2d6637c5e))
1234
+ * update workflow actions ([0f71100](https://www.github.com/cheminfo/nmr-processing/commit/0f711008f5010d5a3940e7054d75bc38f6bae8b7))
1235
+
1236
+ ## [5.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v4.0.0...v5.0.0) (2021-11-26)
1237
+
1238
+
1239
+ ### ⚠ BREAKING CHANGES
1240
+
1241
+ * xyzAutoPeaksPicking change structure NMRSignal2D
1242
+
1243
+ ### Features
1244
+
1245
+ * xyzAutoPeaksPicking change structure NMRSignal2D ([bc5192f](https://www.github.com/cheminfo/nmr-processing/commit/bc5192f1155743c225b92353c2750519a8eaf1ab))
1246
+
1247
+ ## [4.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.4.1...v4.0.0) (2021-11-23)
1248
+
1249
+
1250
+ ### ⚠ BREAKING CHANGES
1251
+
1252
+ * change shape1D n NMRPeak1D structure (#119)
1253
+
1254
+ ### Features
1255
+
1256
+ * change shape1D n NMRPeak1D structure ([#119](https://www.github.com/cheminfo/nmr-processing/issues/119)) ([0255510](https://www.github.com/cheminfo/nmr-processing/commit/02555100407fe2ff80a4c41fff1ddd66d97fbaef))
1257
+
1258
+ ### [3.4.1](https://www.github.com/cheminfo/nmr-processing/compare/v3.4.0...v3.4.1) (2021-11-06)
1259
+
1260
+
1261
+ ### Bug Fixes
1262
+
1263
+ * **rangesToXY:** draw massive ranges ([#117](https://www.github.com/cheminfo/nmr-processing/issues/117)) ([a80025a](https://www.github.com/cheminfo/nmr-processing/commit/a80025a5b5805625f036b478ed9d24f269cfa2b7))
1264
+
1265
+ ## [3.4.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.4...v3.4.0) (2021-11-04)
1266
+
1267
+
1268
+ ### Features
1269
+
1270
+ * add get13CAssignments function ([#116](https://www.github.com/cheminfo/nmr-processing/issues/116)) ([73f9df6](https://www.github.com/cheminfo/nmr-processing/commit/73f9df6c1d88599828409f8194fb58c1323e0ae9))
1271
+ * automatic assignment for proton ([#114](https://www.github.com/cheminfo/nmr-processing/issues/114)) ([f50932e](https://www.github.com/cheminfo/nmr-processing/commit/f50932e78f93db5a4c8dd0c798240a4b18df153a))
1272
+
1273
+
1274
+ ### Bug Fixes
1275
+
1276
+ * export get1HAssignment ([7753e7f](https://www.github.com/cheminfo/nmr-processing/commit/7753e7fbb1e3927b1d32746ab0f4f3b380d98dca))
1277
+
1278
+ ### [3.3.4](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.3...v3.3.4) (2021-10-26)
1279
+
1280
+
1281
+ ### Bug Fixes
1282
+
1283
+ * use NMRPeak1D type ([b6d1b4d](https://www.github.com/cheminfo/nmr-processing/commit/b6d1b4d94f85f349bb88e14a419e77911d2621d1))
1284
+
1285
+ ### [3.3.3](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.2...v3.3.3) (2021-10-25)
1286
+
1287
+
1288
+ ### Bug Fixes
1289
+
1290
+ * export types ([9fea894](https://www.github.com/cheminfo/nmr-processing/commit/9fea894028e864e021bfa20b9a48be1e30aff8c2))
1291
+
1292
+ ### [3.3.2](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.1...v3.3.2) (2021-10-22)
1293
+
1294
+
1295
+ ### Bug Fixes
1296
+
1297
+ * add kind at NMRSignal2D interface ([c050336](https://www.github.com/cheminfo/nmr-processing/commit/c050336982c5073bdad5f2448bf5396d663ed1bd))
1298
+
1299
+ ### [3.3.1](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.0...v3.3.1) (2021-10-21)
1300
+
1301
+
1302
+ ### Bug Fixes
1303
+
1304
+ * rename atomIDs to atoms ([#109](https://www.github.com/cheminfo/nmr-processing/issues/109)) ([fad2415](https://www.github.com/cheminfo/nmr-processing/commit/fad241592d564471048f21731dded47ad4609371))
1305
+
1306
+ ## [3.3.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.2.0...v3.3.0) (2021-10-12)
1307
+
1308
+
1309
+ ### Features
1310
+
1311
+ * add integration in impurities ([26d97ea](https://www.github.com/cheminfo/nmr-processing/commit/26d97ea839505b53ed138631c6f4c567703c4263))
1312
+ * add smiles in solvent impurities ([e2c3d6f](https://www.github.com/cheminfo/nmr-processing/commit/e2c3d6f9a44a901445e81e2f74361f2b8264070f))
1313
+ * add some smiles in database ([bff15d7](https://www.github.com/cheminfo/nmr-processing/commit/bff15d7a4ff2b68b4138bb85c23d00aa79d6ad95))
1314
+ * update n adapt to new version of ml-gsd ([#108](https://www.github.com/cheminfo/nmr-processing/issues/108)) ([d008691](https://www.github.com/cheminfo/nmr-processing/commit/d008691cf3d9c9e2dd908d7bb5639ee4dc41a2e3))
1315
+
1316
+
1317
+ ### Bug Fixes
1318
+
1319
+ * add multiplicity in range ([1d4eaf5](https://www.github.com/cheminfo/nmr-processing/commit/1d4eaf56f9ae039dc9ee48b1a2ee1d54259e4ead))
1320
+ * check default values at interfaces close [#105](https://www.github.com/cheminfo/nmr-processing/issues/105) ([ba6c82c](https://www.github.com/cheminfo/nmr-processing/commit/ba6c82ce7cafdc851d1c61ecb98f26006f064e59))
1321
+ * correct integration and range in impurities ([96c687c](https://www.github.com/cheminfo/nmr-processing/commit/96c687cdf025423ef6a233082b1521de6d4e9072))
1322
+ * remove useless ranges ([2b6119d](https://www.github.com/cheminfo/nmr-processing/commit/2b6119d47d6d05943266db5c871c5b7f3e45742f))
1323
+ * rename nucleus to nuclei when it is array ([d815868](https://www.github.com/cheminfo/nmr-processing/commit/d8158687a94d8f62768830983384edfad93f6696))
1324
+ * **resurrect:** regular expression for frequency ([fad1ed3](https://www.github.com/cheminfo/nmr-processing/commit/fad1ed3965ffcd1796a4b3defdc54333a49097ee))
1325
+ * wrong info for water in impurities ([290eb9e](https://www.github.com/cheminfo/nmr-processing/commit/290eb9ef297e972bf103209ee05380bef797cbb7))
1326
+
1327
+ ## [3.2.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.1.0...v3.2.0) (2021-10-05)
1328
+
1329
+
1330
+ ### Features
1331
+
1332
+ * add carbonImpurities and protonImpurities ([e8abe81](https://www.github.com/cheminfo/nmr-processing/commit/e8abe81c1f4bdc575d8baf436f32229c1b359f4e))
1333
+ * add getDatabase ([d87c1c8](https://www.github.com/cheminfo/nmr-processing/commit/d87c1c8f3de824bdd417560d33ff49c6c190bb3f))
1334
+ * add nucleus in Database ([724071e](https://www.github.com/cheminfo/nmr-processing/commit/724071ec7a9ee1a24717b5031e9e3f110efdead6))
1335
+
1336
+
1337
+ ### Bug Fixes
1338
+
1339
+ * add options to resurrectRange ([291ce40](https://www.github.com/cheminfo/nmr-processing/commit/291ce401d825d96303cb2484a0219fd44e4323a5))
1340
+ * ensure clonnig of input in private function ([c93010d](https://www.github.com/cheminfo/nmr-processing/commit/c93010da785f52b6362d7345c634ccf73e320717))
1341
+ * eslint ([d6c70e4](https://www.github.com/cheminfo/nmr-processing/commit/d6c70e44772c712bf229e00b56af44c683608d70))
1342
+ * improve resurrectRange ([27da93d](https://www.github.com/cheminfo/nmr-processing/commit/27da93dc9b4026673fc3969ce730a91959580bdd))
1343
+ * **rangesToXY:** check if norma is not infinity ([aefa850](https://www.github.com/cheminfo/nmr-processing/commit/aefa8504d1b70942c9e948f307d73e711ec60e90))
1344
+ * refactor rangesToXY ([b04ab37](https://www.github.com/cheminfo/nmr-processing/commit/b04ab373c635811af6fca945fb9056be0aeac398))
1345
+ * remove -1000 ([1ca4b91](https://www.github.com/cheminfo/nmr-processing/commit/1ca4b91b0461b0cec616d57a0efff9e903906f20))
1346
+ * rename nucleus to nuclei when it is array ([e21eb37](https://www.github.com/cheminfo/nmr-processing/commit/e21eb37d8e40c6044ce08addc0e17b29e89c9209))
1347
+ * splitPatterns always returns an array ([1b4dbc9](https://www.github.com/cheminfo/nmr-processing/commit/1b4dbc9c8750937b10fae613c4e110b041daf11e))
1348
+ * splitPatterns returns empty array if empty string ([39ff986](https://www.github.com/cheminfo/nmr-processing/commit/39ff98651c3fbf9004a3c99b1c10139ce2873929))
1349
+
1350
+ ## [3.1.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.5...v3.1.0) (2021-10-01)
1351
+
1352
+
1353
+ ### Features
1354
+
1355
+ * add rangesToXY function ([809162a](https://www.github.com/cheminfo/nmr-processing/commit/809162a2a52c82501caf4cc892cf998a9d83857a))
1356
+
1357
+
1358
+ ### Bug Fixes
1359
+
1360
+ * **rangesToXY:** normalize spectrum ([0aba0d8](https://www.github.com/cheminfo/nmr-processing/commit/0aba0d8891215811593a34cdedba91b135e29ec1))
1361
+ * return empty when there is not signals ([8dd6681](https://www.github.com/cheminfo/nmr-processing/commit/8dd66810fc5c2d3132bd957ebdc9f83812a8180b))
1362
+
1363
+ ### [3.0.5](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.4...v3.0.5) (2021-09-30)
1364
+
1365
+
1366
+ ### Bug Fixes
1367
+
1368
+ * fix checking point for observedFrequencies ([54d94e2](https://www.github.com/cheminfo/nmr-processing/commit/54d94e2602c50a6b738766245d3ef0f078adac8c))
1369
+
1370
+ ### [3.0.4](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.3...v3.0.4) (2021-09-30)
1371
+
1372
+
1373
+ ### Bug Fixes
1374
+
1375
+ * rename observeFrequencies to observedFrequencies ([054aefe](https://www.github.com/cheminfo/nmr-processing/commit/054aefe2dc07237a4562a69a120ae88a1942a110))
1376
+
1377
+ ### [3.0.3](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.2...v3.0.3) (2021-09-30)
1378
+
1379
+
1380
+ ### Bug Fixes
1381
+
1382
+ * xyzAutoPeaksPicking kernel option is optional ([5eb9f53](https://www.github.com/cheminfo/nmr-processing/commit/5eb9f5303f1d3ae92bc18bbd2f9aacf837e70b9b))
1383
+
1384
+ ### [3.0.2](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.1...v3.0.2) (2021-09-30)
1385
+
1386
+
1387
+ ### Bug Fixes
1388
+
1389
+ * ensure compatibility with node 12 ([3bfcf7c](https://www.github.com/cheminfo/nmr-processing/commit/3bfcf7c426df570dafc3a597116ad2b200e586c5))
1390
+ * in ACS generation replace frequencyObserved by observedFrequency ([b1644c4](https://www.github.com/cheminfo/nmr-processing/commit/b1644c4f754dccebbef470fa0a683e74fd09e5cb))
1391
+
1392
+ ### [3.0.1](https://www.github.com/cheminfo/nmr-processing/compare/v3.0.0...v3.0.1) (2021-09-29)
1393
+
1394
+
1395
+ ### Bug Fixes
1396
+
1397
+ * update ml-gsd to 6.8.1 ([17da91d](https://www.github.com/cheminfo/nmr-processing/commit/17da91df53c68f333f0aaca18322e8e98f005520))
1398
+ * update ml-gsd to 6.82 ([901fe06](https://www.github.com/cheminfo/nmr-processing/commit/901fe066c2cb6ecf5c7a69673d9afcaa24f70e3c))
1399
+
1400
+ ## [3.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.5.0...v3.0.0) (2021-09-29)
1401
+
1402
+
1403
+ ### ⚠ BREAKING CHANGES
1404
+
1405
+ * migration typescript and refactor (#93)
1406
+
1407
+ ### Features
1408
+
1409
+ * add typedoc.yml ([6f818df](https://www.github.com/cheminfo/nmr-processing/commit/6f818df15853220aa5739fbf7b9aba68b138b505))
1410
+ * migration typescript and refactor ([#93](https://www.github.com/cheminfo/nmr-processing/issues/93)) ([49420aa](https://www.github.com/cheminfo/nmr-processing/commit/49420aa8956d2316ddc5220f573e72724778dc1f))
1411
+ * starting resurrect code ([a6cba61](https://www.github.com/cheminfo/nmr-processing/commit/a6cba6116453c9a4956d0665c297d07f7c5f92a7))
1412
+
1413
+
1414
+ ### Bug Fixes
1415
+
1416
+ * add package description ([e0594ca](https://www.github.com/cheminfo/nmr-processing/commit/e0594ca589a331ebe3bf5efaad3cde2beca2c2d3))
1417
+
1418
+ ## [2.5.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.4.3...v2.5.0) (2021-08-24)
1419
+
1420
+
1421
+ ### Features
1422
+
1423
+ * add signals2DToZ function ([579fb50](https://www.github.com/cheminfo/nmr-processing/commit/579fb50f12952a0cacd407f820d05cab93a38f07))
1424
+
1425
+ ### [2.4.3](https://www.github.com/cheminfo/nmr-processing/compare/v2.4.2...v2.4.3) (2021-08-12)
1426
+
1427
+
1428
+ ### Bug Fixes
1429
+
1430
+ * update ml-peak-shape-generator, avoid import/named eslint error ([d2b9fa8](https://www.github.com/cheminfo/nmr-processing/commit/d2b9fa8eefc2461d3421ea4527c646bfc6889f25))
1431
+
1432
+ ### [2.4.2](https://www.github.com/cheminfo/nmr-processing/compare/v2.4.1...v2.4.2) (2021-08-11)
1433
+
1434
+
1435
+ ### Bug Fixes
1436
+
1437
+ * **prediction:** ensure add peaks in signals ([05f8765](https://www.github.com/cheminfo/nmr-processing/commit/05f876534f9d4252662f9c7b5bcf9faff08796db))
1438
+
1439
+ ### [2.4.1](https://www.github.com/cheminfo/nmr-processing/compare/v2.4.0...v2.4.1) (2021-08-11)
1440
+
1441
+
1442
+ ### Bug Fixes
1443
+
1444
+ * import gaussian2D instead of Gaussian2D ([17c6bc8](https://www.github.com/cheminfo/nmr-processing/commit/17c6bc818e6ca4579c6fccf6c8ee66b9df9263b3))
1445
+
1446
+ ## [2.4.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.3.4...v2.4.0) (2021-08-11)
1447
+
1448
+
1449
+ ### Features
1450
+
1451
+ * update ml-peak-shape-generator to 2.0.1 ([340e27f](https://www.github.com/cheminfo/nmr-processing/commit/340e27f57e88022c0f3b11cdec9c36543e224981))
1452
+ * update spectrum-generator to 5.0.0 ([73df6d1](https://www.github.com/cheminfo/nmr-processing/commit/73df6d189a433ae37fbc5389c058acf9bb6a0d67))
1453
+
1454
+
1455
+ ### Bug Fixes
1456
+
1457
+ * use plural name for signals in zones, add peaks to each signal ([2a80102](https://www.github.com/cheminfo/nmr-processing/commit/2a801024dffc325503562bd01f0d5867b9774bf3))
1458
+
1459
+ ### [2.3.4](https://www.github.com/cheminfo/nmr-processing/compare/v2.3.3...v2.3.4) (2021-08-03)
1460
+
1461
+
1462
+ ### Bug Fixes
1463
+
1464
+ * use singlet multiplicity to predictCarbon ([b2a45e3](https://www.github.com/cheminfo/nmr-processing/commit/b2a45e3c502e7f8d65173cd6a39f7394b1015fc3))
1465
+
1466
+ ### [2.3.3](https://www.github.com/cheminfo/nmr-processing/compare/v2.3.2...v2.3.3) (2021-08-03)
1467
+
1468
+
1469
+ ### Bug Fixes
1470
+
1471
+ * add nucleus property to predictProton result ([46e5939](https://www.github.com/cheminfo/nmr-processing/commit/46e5939711751b9d6a9244705deacd82001cbf55))
1472
+
1473
+ ### [2.3.2](https://www.github.com/cheminfo/nmr-processing/compare/v2.3.1...v2.3.2) (2021-08-03)
1474
+
1475
+
1476
+ ### Bug Fixes
1477
+
1478
+ * export nuclues in prediction ([e9f780b](https://www.github.com/cheminfo/nmr-processing/commit/e9f780b2ba9fc8c85ca8e73e346c6c539bf8534b))
1479
+
1480
+ ### [2.3.1](https://www.github.com/cheminfo/nmr-processing/compare/v2.3.0...v2.3.1) (2021-08-03)
1481
+
1482
+
1483
+ ### Bug Fixes
1484
+
1485
+ * predict2D - avoid not predicted nucleus e.g labiles ([5612173](https://www.github.com/cheminfo/nmr-processing/commit/56121732965b315eb98c0d24793aad5b19166d44))
1486
+
1487
+ ## [2.3.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.2.0...v2.3.0) (2021-08-03)
1488
+
1489
+
1490
+ ### Features
1491
+
1492
+ * export predictAll function ([d84c1ee](https://www.github.com/cheminfo/nmr-processing/commit/d84c1ee3ad223ded3e64767af15c13d0fff4df06))
1493
+
1494
+ ## [2.2.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.1.2...v2.2.0) (2021-08-02)
1495
+
1496
+
1497
+ ### Features
1498
+
1499
+ * add webserviceURL option ([de87821](https://www.github.com/cheminfo/nmr-processing/commit/de87821d0b1c661ce1689a787aa5d8ab6734d617))
1500
+
1501
+ ### [2.1.2](https://www.github.com/cheminfo/nmr-processing/compare/v2.1.1...v2.1.2) (2021-07-27)
1502
+
1503
+
1504
+ ### Bug Fixes
1505
+
1506
+ * **signalsToXY:** atomsIDs instead assignment ([47f2abd](https://www.github.com/cheminfo/nmr-processing/commit/47f2abdce42d29d519459e941cfe6a644335eabc))
1507
+
1508
+ ### [2.1.1](https://www.github.com/cheminfo/nmr-processing/compare/v2.1.0...v2.1.1) (2021-07-26)
1509
+
1510
+
1511
+ ### Bug Fixes
1512
+
1513
+ * plural name in joinRanges function ([2a33761](https://www.github.com/cheminfo/nmr-processing/commit/2a337617a81deb04f9af0a5ea6ae6de5497fa8e5))
1514
+
1515
+ ## [2.1.0](https://www.github.com/cheminfo/nmr-processing/compare/v2.0.1...v2.1.0) (2021-07-26)
1516
+
1517
+
1518
+ ### Features
1519
+
1520
+ * refactor ([#74](https://www.github.com/cheminfo/nmr-processing/issues/74)) ([3e24240](https://www.github.com/cheminfo/nmr-processing/commit/3e24240448719742a9be0f8dc3583152b5acc31a))
1521
+
1522
+
1523
+ ### Bug Fixes
1524
+
1525
+ * deal correctly with empty molecules ([0ac2ec3](https://www.github.com/cheminfo/nmr-processing/commit/0ac2ec3b69fb3b432654551a68629e7bf1efffe9))
1526
+ * deal with empty molecules ([01b32f9](https://www.github.com/cheminfo/nmr-processing/commit/01b32f9ed40fa0a52644703b49ffbebc4f2e59a2))
1527
+
1528
+ ### [2.0.1](https://www.github.com/cheminfo/nmr-processing/compare/v2.0.0...v2.0.1) (2021-07-25)
1529
+
1530
+
1531
+ ### Bug Fixes
1532
+
1533
+ * spectrum generation parameter names ([f86175d](https://www.github.com/cheminfo/nmr-processing/commit/f86175deb66b439043622bc300e5263d0b8e63fc))
1534
+
1535
+ ## [2.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.5.2...v2.0.0) (2021-07-23)
1536
+
1537
+
1538
+ ### ⚠ BREAKING CHANGES
1539
+
1540
+ * use plural name diaIDs instead diaID
1541
+ * use plural names signals and js instead of signal and j in ranges
1542
+ * use integration instead of integral
1543
+
1544
+ ### Features
1545
+
1546
+ * **prediction:** prediction 2D ([#68](https://www.github.com/cheminfo/nmr-processing/issues/68)) ([fed091b](https://www.github.com/cheminfo/nmr-processing/commit/fed091b48e21cf29624d7322ddc952d590f16495))
1547
+ * predictor returns molecule ([9d7ba24](https://www.github.com/cheminfo/nmr-processing/commit/9d7ba24225aa0fb9a3c4d5fb25f55032c081bdb3))
1548
+ * use integration instead of integral ([80ccc25](https://www.github.com/cheminfo/nmr-processing/commit/80ccc25ec21fcb6df5130af40aaf03ce3ea73f17))
1549
+ * use plural name diaIDs instead diaID ([8cbcefc](https://www.github.com/cheminfo/nmr-processing/commit/8cbcefc3c3225039cf4f236e2ef908233ccc9ad6))
1550
+ * use plural names signals and js instead of signal and j in ranges ([2328a13](https://www.github.com/cheminfo/nmr-processing/commit/2328a13f4084b00927c19ff3ec012c692a00d22a))
1551
+
1552
+
1553
+ ### Bug Fixes
1554
+
1555
+ * database in json format ([9adb6bf](https://www.github.com/cheminfo/nmr-processing/commit/9adb6bfec39eb22b4f238e538cb972462204e2e0))
1556
+
1557
+ ### [1.5.2](https://www.github.com/cheminfo/nmr-processing/compare/v1.5.1...v1.5.2) (2021-07-22)
1558
+
1559
+
1560
+ ### Bug Fixes
1561
+
1562
+ * deal with new data path ([1b0c7b7](https://www.github.com/cheminfo/nmr-processing/commit/1b0c7b74c6ba48d60584074ea1f5465aca2e0846))
1563
+
1564
+ ### [1.5.1](https://www.github.com/cheminfo/nmr-processing/compare/v1.5.0...v1.5.1) (2021-07-16)
1565
+
1566
+
1567
+ ### Bug Fixes
1568
+
1569
+ * don't need openchemlib as dependency ([edecc62](https://www.github.com/cheminfo/nmr-processing/commit/edecc621b47b2c34982b807334429b4344d714b0))
1570
+
1571
+ ## [1.5.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.4.0...v1.5.0) (2021-07-15)
1572
+
1573
+
1574
+ ### Features
1575
+
1576
+ * add ache in carbon prediction ([745ba46](https://www.github.com/cheminfo/nmr-processing/commit/745ba46943b3742a851b9381673ffff0c211bd37))
1577
+ * add local database prediction ([d77000f](https://www.github.com/cheminfo/nmr-processing/commit/d77000f20d0ccda56b4c804130609162a0cc3916))
1578
+ * add predictionCarbon ([#65](https://www.github.com/cheminfo/nmr-processing/issues/65)) ([e394f97](https://www.github.com/cheminfo/nmr-processing/commit/e394f97b3450000b5d5847580cd9d333972c42f5))
1579
+ * put carbon db in the cloud ([8e65ac4](https://www.github.com/cheminfo/nmr-processing/commit/8e65ac4db5d4ecd5cd0e9a5bb08a7a1f40e3c175))
1580
+
1581
+
1582
+ ### Bug Fixes
1583
+
1584
+ * add dist in .gitignore ([c67bc30](https://www.github.com/cheminfo/nmr-processing/commit/c67bc308bb39bc457087e35dbc95702bcef89b28))
1585
+ * predictCarbon ([2fb1045](https://www.github.com/cheminfo/nmr-processing/commit/2fb1045d3f15c504e53f5b8cad8009cf71eecb25))
1586
+
1587
+ ## [1.4.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.3.0...v1.4.0) (2021-05-18)
1588
+
1589
+
1590
+ ### Features
1591
+
1592
+ * add multiplicity when join signals from prediction ([#61](https://www.github.com/cheminfo/nmr-processing/issues/61)) ([e938688](https://www.github.com/cheminfo/nmr-processing/commit/e938688fe6fceaea725b129b602602a7eab37695))
1593
+ * add san plot as an option to determine the noise level of 1D spectrum. ([#59](https://www.github.com/cheminfo/nmr-processing/issues/59)) ([0f20e1f](https://www.github.com/cheminfo/nmr-processing/commit/0f20e1f50824747c76f96c832bbb6c89888c7750))
1594
+
1595
+ ## [1.3.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.2.0...v1.3.0) (2021-05-11)
1596
+
1597
+
1598
+ ### Features
1599
+
1600
+ * splitPatterns allows spaces ([6a41404](https://www.github.com/cheminfo/nmr-processing/commit/6a4140455ce571c9f609f622a82a91b5970f59c1))
1601
+
1602
+
1603
+ ### Bug Fixes
1604
+
1605
+ * join overlaped ranges ([04e164b](https://www.github.com/cheminfo/nmr-processing/commit/04e164b3e8dd4998ced8e1a5e125bd2663d9c803))
1606
+ * update dependencies ([18bb254](https://www.github.com/cheminfo/nmr-processing/commit/18bb254515efaac5bcb462824dd52e9880ecc798))
1607
+ * use cross-fetch instead of node-fetch for browser compatibility ([ba92bac](https://www.github.com/cheminfo/nmr-processing/commit/ba92bac64de76a5f897a38f3f140d0f5d5830ce0))
1608
+
1609
+ ## [1.2.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.1.0...v1.2.0) (2021-04-05)
1610
+
1611
+
1612
+ ### Features
1613
+
1614
+ * adapt splitSpinSystem to ml-hclust 3.0.0 ([#55](https://www.github.com/cheminfo/nmr-processing/issues/55)) ([52bb416](https://www.github.com/cheminfo/nmr-processing/commit/52bb41632bf0535c537b966a792da728f7c26036))
1615
+ * add cache in prediction ([7efd153](https://www.github.com/cheminfo/nmr-processing/commit/7efd153caa77ea13050ce3553c058e312cb72551))
1616
+ * add couplind length in prediciton ([afbfb84](https://www.github.com/cheminfo/nmr-processing/commit/afbfb84ccf70608c1a609c408c591bc2b4561077))
1617
+ * add couplingValues ([3c3dfb2](https://www.github.com/cheminfo/nmr-processing/commit/3c3dfb2e12c54efb8a6c4baf52d8e29159562933))
1618
+ * add diaID in prediction result ([92cb27e](https://www.github.com/cheminfo/nmr-processing/commit/92cb27e392628355c895acc211ec15b6469d4c9d))
1619
+ * add signalsJoin ([022ec07](https://www.github.com/cheminfo/nmr-processing/commit/022ec07d26234a6818cc43324f2fe0a2d4f89045))
1620
+ * add splitPatterns and joinPatterns ([cdacae3](https://www.github.com/cheminfo/nmr-processing/commit/cdacae36ffa7cc12098c6d315028ebefb33c4f13))
1621
+ * improve joinSignals in predictionProton ([fa361a7](https://www.github.com/cheminfo/nmr-processing/commit/fa361a7214105ba1bd7e09c2c13bed571792c76a))
1622
+ * prediction assignment is always an array and add testcase ([110960e](https://www.github.com/cheminfo/nmr-processing/commit/110960ec783022e2f0e1f98997683eb44f506c72))
1623
+ * sort couplings from larger to smaller ([b6940a4](https://www.github.com/cheminfo/nmr-processing/commit/b6940a4b6d812068405caf24559439155f36eea5))
1624
+
1625
+
1626
+ ### Bug Fixes
1627
+
1628
+ * correctly join signal couplings ([dfedd56](https://www.github.com/cheminfo/nmr-processing/commit/dfedd5636d520a55369d93e1b925462e4264a8b2))
1629
+
1630
+ ## [1.1.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.0.1...v1.1.0) (2021-04-02)
1631
+
1632
+
1633
+ ### Features
1634
+
1635
+ * splitSystem as independent function ([#53](https://www.github.com/cheminfo/nmr-processing/issues/53)) ([1054423](https://www.github.com/cheminfo/nmr-processing/commit/10544234125147b57e4171458ae5882c0d60c021))
1636
+
1637
+
1638
+ ### Bug Fixes
1639
+
1640
+ * signalJoinCouplings assignment join ([2fce7cb](https://www.github.com/cheminfo/nmr-processing/commit/2fce7cb749d86dceccbddd355a66fcc2ac9b4a05))
1641
+
1642
+ ### [1.0.1](https://www.github.com/cheminfo/nmr-processing/compare/v1.0.0...v1.0.1) (2021-03-24)
1643
+
1644
+
1645
+ ### Bug Fixes
1646
+
1647
+ * update ml-matrix-peaks-finder to v1.0.0 ([da734cc](https://www.github.com/cheminfo/nmr-processing/commit/da734cc91928750ca2038ff285f8d2db65130284))
1648
+
1649
+ ## [1.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.14.0...v1.0.0) (2021-03-24)
1650
+
1651
+
1652
+ ### Bug Fixes
1653
+
1654
+ * update dependencies ([5e2809a](https://www.github.com/cheminfo/nmr-processing/commit/5e2809a057947ad4b52e66c74ed5e7bbf5e2b7bd))
1655
+
1656
+ ## [0.14.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.13.0...v0.14.0) (2021-03-24)
1657
+
1658
+
1659
+ ### ⚠ BREAKING CHANGES
1660
+
1661
+ * The proton prediction function was renamed to predictionProton and requires an `OCL.Molecule` instance. `fromMolfile` and `fromSmiles` were removed.
1662
+
1663
+ ### Code Refactoring
1664
+
1665
+ * remove OCL dependency ([bdcbbe0](https://www.github.com/cheminfo/nmr-processing/commit/bdcbbe0440ffbfc2f67f90d078002066017fa3d5))
1666
+
1667
+ ## [0.13.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.12.1...v0.13.0) (2021-03-19)
1668
+
1669
+
1670
+ ### Features
1671
+
1672
+ * fix ensureClusterSize ([#47](https://www.github.com/cheminfo/nmr-processing/issues/47)) ([570f9f8](https://www.github.com/cheminfo/nmr-processing/commit/570f9f82fcb17a42cae767f638b19cadbb894fff))
1673
+ * remove xyGetArea close[#10](https://www.github.com/cheminfo/nmr-processing/issues/10) ([13bf194](https://www.github.com/cheminfo/nmr-processing/commit/13bf19475fa0d1bcefeb84a750d97f4ee8cd1d00))
1674
+ * rescale to 1e8 signalsToXY and add maxValue option ([da2364c](https://www.github.com/cheminfo/nmr-processing/commit/da2364ca434f8f860533d8c20309605dc5487cae))
1675
+
1676
+
1677
+ ### Bug Fixes
1678
+
1679
+ * remove writeFile in test ([61b54e3](https://www.github.com/cheminfo/nmr-processing/commit/61b54e3a0f2ed670cb048bf32453a9084ccdd02f))
1680
+
1681
+ ### [0.12.1](https://www.github.com/cheminfo/nmr-processing/compare/v0.12.0...v0.12.1) (2021-03-12)
1682
+
1683
+
1684
+ ### Bug Fixes
1685
+
1686
+ * expose signalsToXY ([927646b](https://www.github.com/cheminfo/nmr-processing/commit/927646b555304d5c48a2263b5f59caa2c231d8dd))
1687
+
1688
+ ## [0.12.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.11.1...v0.12.0) (2021-03-05)
1689
+
1690
+
1691
+ ### Features
1692
+
1693
+ * add simulation of 1D nmr spectrum from signals ([247d523](https://www.github.com/cheminfo/nmr-processing/commit/247d523f80d2877713fa6d978027643b4fa78a3f))
1694
+ * use spectrum-generator in simulate1D ([9489d78](https://www.github.com/cheminfo/nmr-processing/commit/9489d78e1962c6cf834e14e24f46c876be6802e8))
1695
+ * use static function for spinSystem creation ([1db79c5](https://www.github.com/cheminfo/nmr-processing/commit/1db79c5c2e5901b366d48c88263116cbbb1d0972))
1696
+
1697
+
1698
+ ### Bug Fixes
1699
+
1700
+ * eslint ([69ac997](https://www.github.com/cheminfo/nmr-processing/commit/69ac9972cae991f27fe15648952593f92bcd91b9))
1701
+ * rename xyzJResAnalizer to xyzJResAnalyzer ([fbc80ee](https://www.github.com/cheminfo/nmr-processing/commit/fbc80ee9485f028f1c12f4a75571fa4eb6e6d031))
1702
+
1703
+ ### [0.11.1](https://www.github.com/cheminfo/nmr-processing/compare/v0.11.0...v0.11.1) (2021-03-01)
1704
+
1705
+
1706
+ ### Bug Fixes
1707
+
1708
+ * allow other openchemlib-utils initialization ([f69a825](https://www.github.com/cheminfo/nmr-processing/commit/f69a8250d629d948a4b24f70d7d221dc6e68465f))
1709
+
1710
+ ## [0.11.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.10.0...v0.11.0) (2021-02-28)
1711
+
1712
+
1713
+ ### Features
1714
+
1715
+ * add predictionProton ([17f596d](https://www.github.com/cheminfo/nmr-processing/commit/17f596dd94346cf1f1e31b0fa06c0281b0fd8e27))
1716
+ * add signalsToRanges ([906dad9](https://www.github.com/cheminfo/nmr-processing/commit/906dad926fb3364f4f0d6836539998a8633e2722))
1717
+ * add spinus prediction ([1bce49f](https://www.github.com/cheminfo/nmr-processing/commit/1bce49f1c0783ab45ce90657d2a749b93b1ae07b))
1718
+
1719
+ ## [0.10.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.9.0...v0.10.0) (2021-02-18)
1720
+
1721
+
1722
+ ### Features
1723
+
1724
+ * add from-to of signals from from-to of peaks ([15950c5](https://www.github.com/cheminfo/nmr-processing/commit/15950c54479f9944b118637bf27f606e2d8db1fd))
1725
+
1726
+ ## [0.9.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.8.0...v0.9.0) (2021-02-09)
1727
+
1728
+
1729
+ ### Features
1730
+
1731
+ * change nH to integrationSum ([#33](https://www.github.com/cheminfo/nmr-processing/issues/33)) ([801960a](https://www.github.com/cheminfo/nmr-processing/commit/801960a8fa765d3b3bbc9ec555496a9b505827e7))
1732
+
1733
+ ## [0.8.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.7.0...v0.8.0) (2021-02-09)
1734
+
1735
+
1736
+ ### Features
1737
+
1738
+ * real top detection and fix options name in peak detection ([#32](https://www.github.com/cheminfo/nmr-processing/issues/32)) ([e0dd125](https://www.github.com/cheminfo/nmr-processing/commit/e0dd125d4146d9143b4394204ebeeed16b0ffb80))
1739
+ * update parameters names for xyAutoRangesPicking ([ed388e6](https://www.github.com/cheminfo/nmr-processing/commit/ed388e686a1dffebe852d3f12726a15560fb3fc2))
1740
+
1741
+ ## [0.7.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.6.0...v0.7.0) (2021-01-26)
1742
+
1743
+
1744
+ ### Features
1745
+
1746
+ * add kind to signal in auto range detection ([#28](https://www.github.com/cheminfo/nmr-processing/issues/28)) ([90a1ecd](https://www.github.com/cheminfo/nmr-processing/commit/90a1ecd65363f21603d07aa8b6cfd0c15045f829))
1747
+
1748
+ ## [0.6.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.5.0...v0.6.0) (2021-01-22)
1749
+
1750
+
1751
+ ### Features
1752
+
1753
+ * generate version with 2D peak picking improvement ([ae62c20](https://www.github.com/cheminfo/nmr-processing/commit/ae62c2067ab491c1c6e4a9e0e271bb39935fa203))
1754
+
1755
+ ## [0.5.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.4.0...v0.5.0) (2020-12-16)
1756
+
1757
+
1758
+ ### Features
1759
+
1760
+ * by default filter solvent and impurity in rangesToACS ([319e595](https://www.github.com/cheminfo/nmr-processing/commit/319e595462a17c834699249dea8757bd87008dca))
1761
+
1762
+ ## [0.4.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.3.1...v0.4.0) (2020-11-16)
1763
+
1764
+
1765
+ ### Features
1766
+
1767
+ * update ml-gsd and improve documentation ([#23](https://www.github.com/cheminfo/nmr-processing/issues/23)) ([f0400ef](https://www.github.com/cheminfo/nmr-processing/commit/f0400ef10895920a4ae6f76a7c8b9418db12a425))
1768
+
1769
+ ### [0.3.1](https://www.github.com/cheminfo/nmr-processing/compare/v0.3.0...v0.3.1) (2020-10-28)
1770
+
1771
+
1772
+ ### Bug Fixes
1773
+
1774
+ * update matrix-peaks-finder ([#21](https://www.github.com/cheminfo/nmr-processing/issues/21)) ([d1abb05](https://www.github.com/cheminfo/nmr-processing/commit/d1abb058f52cda9dbb2aca23ab2fa9262a85c069))
1775
+
1776
+ ## [0.3.0](https://www.github.com/cheminfo/nmr-processing/compare/v0.2.5...v0.3.0) (2020-10-27)
1777
+
1778
+ ### Bug Fixes
1779
+
1780
+ * auto peaks picking dependency ([420c92a](https://www.github.com/cheminfo/nmr-processing/commit/420c92a45ad2ba7375694cee9f2bc6ae03f2d6cd))
1781
+ * use number for gyromagneticRatio and add 1 digit for 13C ([1f77c67](https://github.com/cheminfo/nmr-processing/commit/1f77c67927749e41f3c4cbb5779ef5d7e075d9ad))
1782
+
1783
+ ## [0.2.1](https://github.com/cheminfo/nmr-processing/compare/v0.2.0...v0.2.1) (2020-06-24)
1784
+
1785
+
1786
+ ## [0.2.0](https://github.com/cheminfo/nmr-processing/compare/v0.1.5...v0.2.0) (2020-06-23)
1787
+
1788
+
1789
+ ### Features
1790
+
1791
+ * add gyromagneticRatio ([84a5fe9](https://github.com/cheminfo/nmr-processing/commit/84a5fe95c4fc8024344f37225005e6b2c287356d))
1792
+
1793
+
1794
+ ## 0.1.0 (2020-05-23)
1795
+
1796
+
1797
+ ### Features
1798
+
1799
+ * add a folder with constants ([fd48113](https://github.com/cheminfo/nmr-processing/commit/fd481139955abf5118b00f7f8a402ca4ceb831fa))
1800
+ * add getPattern and joinCouplings ([f7f591d](https://github.com/cheminfo/nmr-processing/commit/f7f591d53ed3a2bff8e48e62f3bbb473b9d26e2a))
1801
+ * add peak picking ([2c2ccd5](https://github.com/cheminfo/nmr-processing/commit/2c2ccd567a9e29378177fe44dcf4aecd1e4444dd))
1802
+ * add signal ([e11a02c](https://github.com/cheminfo/nmr-processing/commit/e11a02c6f3f3300840121aa53d2c6af45add0bb4))
1803
+ * add test data ([ab8cd2e](https://github.com/cheminfo/nmr-processing/commit/ab8cd2e449939de261a8178306af1aeff8f7baaf))
1804
+ * add toACS ([5225cb1](https://github.com/cheminfo/nmr-processing/commit/5225cb1285dd66a2fa568699b706d4b518e29461))
1805
+ * addn web folder allowing to debug ([965eabf](https://github.com/cheminfo/nmr-processing/commit/965eabf7335638cf7d150acb34118ef15c28a9d5))