jcampconverter 8.2.2 → 8.2.5
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/lib/2d/add2D.d.ts +2 -0
- package/lib/2d/add2D.d.ts.map +1 -0
- package/lib/2d/add2D.js +17 -0
- package/lib/2d/add2D.js.map +1 -0
- package/lib/2d/convertTo3DZ.d.ts +11 -0
- package/lib/2d/convertTo3DZ.d.ts.map +1 -0
- package/lib/2d/convertTo3DZ.js +59 -0
- package/lib/2d/convertTo3DZ.js.map +1 -0
- package/lib/2d/generateContourLines.d.ts +8 -0
- package/lib/2d/generateContourLines.d.ts.map +1 -0
- package/lib/2d/generateContourLines.js +163 -0
- package/lib/2d/generateContourLines.js.map +1 -0
- package/lib/complexChromatogram.d.ts +4 -0
- package/lib/complexChromatogram.d.ts.map +1 -0
- package/lib/complexChromatogram.js +49 -0
- package/lib/complexChromatogram.js.map +1 -0
- package/lib/convert.d.ts +147 -0
- package/lib/convert.d.ts.map +1 -0
- package/lib/convert.js +391 -0
- package/lib/convert.js.map +1 -0
- package/lib/convertToFloatArray.d.ts +2 -0
- package/lib/convertToFloatArray.d.ts.map +1 -0
- package/lib/convertToFloatArray.js +11 -0
- package/lib/convertToFloatArray.js.map +1 -0
- package/lib/createTree.d.ts +29 -0
- package/lib/createTree.d.ts.map +1 -0
- package/lib/createTree.js +98 -0
- package/lib/createTree.js.map +1 -0
- package/lib/index.d.ts +3 -0
- package/lib/index.d.ts.map +1 -0
- package/lib/index.js +8 -1214
- package/lib/index.js.map +1 -0
- package/lib/parse/fastParseXYData.d.ts +2 -0
- package/lib/parse/fastParseXYData.d.ts.map +1 -0
- package/lib/parse/fastParseXYData.js +192 -0
- package/lib/parse/fastParseXYData.js.map +1 -0
- package/lib/parse/parsePeakTable.d.ts +2 -0
- package/lib/parse/parsePeakTable.d.ts.map +1 -0
- package/lib/parse/parsePeakTable.js +67 -0
- package/lib/parse/parsePeakTable.js.map +1 -0
- package/lib/parse/parseXYA.d.ts +2 -0
- package/lib/parse/parseXYA.d.ts.map +1 -0
- package/lib/parse/parseXYA.js +17 -0
- package/lib/parse/parseXYA.js.map +1 -0
- package/lib/postProcessing.d.ts +2 -0
- package/lib/postProcessing.d.ts.map +1 -0
- package/lib/postProcessing.js +50 -0
- package/lib/postProcessing.js.map +1 -0
- package/lib/postProcessingNMR.d.ts +2 -0
- package/lib/postProcessingNMR.d.ts.map +1 -0
- package/lib/postProcessingNMR.js +94 -0
- package/lib/postProcessingNMR.js.map +1 -0
- package/lib/prepareNtuplesDatatable.d.ts +2 -0
- package/lib/prepareNtuplesDatatable.d.ts.map +1 -0
- package/lib/prepareNtuplesDatatable.js +87 -0
- package/lib/prepareNtuplesDatatable.js.map +1 -0
- package/lib/prepareSpectrum.d.ts +2 -0
- package/lib/prepareSpectrum.d.ts.map +1 -0
- package/lib/prepareSpectrum.js +10 -0
- package/lib/prepareSpectrum.js.map +1 -0
- package/lib/profiling.d.ts +2 -0
- package/lib/profiling.d.ts.map +1 -0
- package/lib/profiling.js +12 -0
- package/lib/profiling.js.map +1 -0
- package/lib/simpleChromatogram.d.ts +2 -0
- package/lib/simpleChromatogram.d.ts.map +1 -0
- package/lib/simpleChromatogram.js +16 -0
- package/lib/simpleChromatogram.js.map +1 -0
- package/lib-esm/2d/add2D.d.ts +2 -0
- package/lib-esm/2d/add2D.d.ts.map +1 -0
- package/lib-esm/2d/add2D.js +11 -0
- package/lib-esm/2d/add2D.js.map +1 -0
- package/lib-esm/2d/convertTo3DZ.d.ts +11 -0
- package/lib-esm/2d/convertTo3DZ.d.ts.map +1 -0
- package/lib-esm/2d/convertTo3DZ.js +53 -0
- package/lib-esm/2d/convertTo3DZ.js.map +1 -0
- package/lib-esm/2d/generateContourLines.d.ts +8 -0
- package/lib-esm/2d/generateContourLines.d.ts.map +1 -0
- package/lib-esm/2d/generateContourLines.js +160 -0
- package/lib-esm/2d/generateContourLines.js.map +1 -0
- package/lib-esm/complexChromatogram.d.ts +4 -0
- package/lib-esm/complexChromatogram.d.ts.map +1 -0
- package/lib-esm/complexChromatogram.js +43 -0
- package/lib-esm/complexChromatogram.js.map +1 -0
- package/lib-esm/convert.d.ts +147 -0
- package/lib-esm/convert.d.ts.map +1 -0
- package/lib-esm/convert.js +384 -0
- package/lib-esm/convert.js.map +1 -0
- package/lib-esm/convertToFloatArray.d.ts +2 -0
- package/lib-esm/convertToFloatArray.d.ts.map +1 -0
- package/lib-esm/convertToFloatArray.js +8 -0
- package/lib-esm/convertToFloatArray.js.map +1 -0
- package/lib-esm/createTree.d.ts +29 -0
- package/lib-esm/createTree.d.ts.map +1 -0
- package/lib-esm/createTree.js +94 -0
- package/lib-esm/createTree.js.map +1 -0
- package/lib-esm/index.d.ts +3 -0
- package/lib-esm/index.d.ts.map +1 -0
- package/lib-esm/index.js +3 -0
- package/lib-esm/index.js.map +1 -0
- package/lib-esm/parse/fastParseXYData.d.ts +2 -0
- package/lib-esm/parse/fastParseXYData.d.ts.map +1 -0
- package/lib-esm/parse/fastParseXYData.js +189 -0
- package/lib-esm/parse/fastParseXYData.js.map +1 -0
- package/lib-esm/parse/parsePeakTable.d.ts +2 -0
- package/lib-esm/parse/parsePeakTable.d.ts.map +1 -0
- package/lib-esm/parse/parsePeakTable.js +64 -0
- package/lib-esm/parse/parsePeakTable.js.map +1 -0
- package/lib-esm/parse/parseXYA.d.ts +2 -0
- package/lib-esm/parse/parseXYA.d.ts.map +1 -0
- package/lib-esm/parse/parseXYA.js +14 -0
- package/lib-esm/parse/parseXYA.js.map +1 -0
- package/lib-esm/postProcessing.d.ts +2 -0
- package/lib-esm/postProcessing.d.ts.map +1 -0
- package/lib-esm/postProcessing.js +44 -0
- package/lib-esm/postProcessing.js.map +1 -0
- package/lib-esm/postProcessingNMR.d.ts +2 -0
- package/lib-esm/postProcessingNMR.d.ts.map +1 -0
- package/lib-esm/postProcessingNMR.js +91 -0
- package/lib-esm/postProcessingNMR.js.map +1 -0
- package/lib-esm/prepareNtuplesDatatable.d.ts +2 -0
- package/lib-esm/prepareNtuplesDatatable.d.ts.map +1 -0
- package/lib-esm/prepareNtuplesDatatable.js +84 -0
- package/lib-esm/prepareNtuplesDatatable.js.map +1 -0
- package/lib-esm/prepareSpectrum.d.ts +2 -0
- package/lib-esm/prepareSpectrum.d.ts.map +1 -0
- package/lib-esm/prepareSpectrum.js +7 -0
- package/lib-esm/prepareSpectrum.js.map +1 -0
- package/lib-esm/profiling.d.ts +2 -0
- package/lib-esm/profiling.d.ts.map +1 -0
- package/lib-esm/profiling.js +9 -0
- package/lib-esm/profiling.js.map +1 -0
- package/lib-esm/simpleChromatogram.d.ts +2 -0
- package/lib-esm/simpleChromatogram.d.ts.map +1 -0
- package/lib-esm/simpleChromatogram.js +13 -0
- package/lib-esm/simpleChromatogram.js.map +1 -0
- package/package.json +23 -18
- package/src/convert.js +72 -19
- package/src/createTree.js +16 -3
- package/CHANGELOG.md +0 -427
package/package.json
CHANGED
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@@ -1,12 +1,14 @@
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{
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"name": "jcampconverter",
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"version": "8.2.
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"version": "8.2.5",
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"description": "Parse and convert JCAMP data",
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"main": "lib/index.js",
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"module": "
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"module": "lib-esm/index.js",
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"types": "lib/index.d.ts",
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"files": [
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"lib",
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"src"
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"src",
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"lib-esm"
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],
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"prettier": {
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"arrowParens": "always",
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@@ -17,15 +19,20 @@
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},
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"scripts": {
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"build": "cheminfo-build --entry src/index.js --root JcampConverter",
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"check-types": "tsc --noEmit",
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"clean": "rimraf lib lib-esm",
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"eslint": "eslint src __tests__",
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"eslint-fix": "npm run eslint -- --fix",
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"jscpd": "jscpd -l 10 -i \"**/__tests__/**\" -t 1 src",
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"prepack": "
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"prepack": "npm run tsc",
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"prettier": "prettier --check src",
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"prettier-write": "prettier --write src",
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"test": "npm run test-coverage && npm run eslint && npm run prettier",
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"test": "npm run test-coverage && npm run eslint && npm run prettier && npm run check-types",
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"test-coverage": "jest --coverage",
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"test-only": "jest",
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"tsc": "npm run clean && npm run tsc-cjs && npm run tsc-esm",
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"tsc-cjs": "tsc --project tsconfig.cjs.json",
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"tsc-esm": "tsc --project tsconfig.esm.json",
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"benchmark": "node benchmark/benchmark.js",
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"deopt": "node --trace-opt --trace-deopt --code-comments debug/deoptimize.js > deopt.log",
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"hydra": "node --trace-hydrogen --trace-phase=Z --trace-deopt --code-comments --hydrogen-track-positions --redirect-code-traces --redirect-code-traces-to=code.asm debug/deoptimize.js"
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"url": "https://github.com/cheminfo/jcampconverter/issues"
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},
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"homepage": "https://github.com/cheminfo/jcampconverter#readme",
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"jest": {
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"testEnvironment": "node"
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},
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"devDependencies": {
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"@
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"@types/jest": "^27.0.2",
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"@types/jest": "^27.4.1",
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"benchmark": "^2.1.4",
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"cheminfo-build": "^1.1.11",
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"eslint": "^8.
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"eslint-config-cheminfo": "^
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"eslint": "^8.9.0",
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"eslint-config-cheminfo-typescript": "^10.3.0",
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"esm": "^3.2.25",
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"jest": "^27.
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"jest": "^27.5.1",
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"jest-matcher-deep-close-to": "^3.0.2",
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"jscpd": "^3.
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"prettier": "^2.
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"
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"jscpd": "^3.4.5",
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"prettier": "^2.5.1",
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"rimraf": "^3.0.2",
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"ts-jest": "^27.1.3",
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"typescript": "^4.5.5"
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},
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"dependencies": {
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"dynamic-typing": "^0.1.3",
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"ensure-string": "^1.1.0",
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"ml-array-median": "^1.1.
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"nmr-processing": "^
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"ml-array-median": "^1.1.6",
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"nmr-processing": "^7.0.1"
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}
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}
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package/src/convert.js
CHANGED
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// the following RegExp can only be used for XYdata, some peakTables have values with a "E-5" ...
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const ntuplesSeparatorRegExp = /[ \t]*,[ \t]*/;
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class Spectrum {}
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const defaultOptions = {
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keepRecordsRegExp: /^$/,
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canonicDataLabels: true,
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profiling: false,
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};
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/**
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*
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* @typedef {object} ConvertOptions
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* @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
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* @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
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* @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
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* @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
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* @property {boolean} [options.withoutXY=false] - Remove the XY data.
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* @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
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* @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
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* @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
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* @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
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* @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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* @property {boolean} [options.profiling=false] - Add profiling information.
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*/
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/**
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*
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* @typedef {object} Ntuples
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* @property {string[]} [varname]
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* @property {string[]} [symbol]
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* @property {string[]} [vartype]
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* @property {string[]} [varform]
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* @property {number[]} [vardim]
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* @property {string[]} [units]
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* @property {number[]} [factor]
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* @property {number[]} [first]
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* @property {number[]} [last]
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* @property {number[]} [min]
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* @property {number[]} [max]
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*/
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/**
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* @typedef { Record<string, any> } Spectrum
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* @property {Record<string, number[]>} [data]
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* @property {number} [firstX]
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* @property {number} [lastX]
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* @property {number} [deltaX]
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* @property {number} [yFactor]
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* @property {number} [xFactor]
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* @property {number} [nbPoints]
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*/
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/**
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*
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* @typedef {object} Entry
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* @property {Spectrum[]} spectra
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* @property {Ntuples} ntuples
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* @property {object} meta
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* @property {object} tmp
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* @property {string} [title]
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* @property {string} [dataType]
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* @property {string} [dataClass]
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* @property {boolean} [twoD]
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*/
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/**
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*
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* @typedef { object } ConvertResult
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* @property { object[] | boolean } profiling
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* @property { string[] } logs
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* @property { object[] } entries
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* @property { Entry[] } flatten
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*/
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/**
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* Parse a jcamp.
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* @param {string|ArrayBuffer|Uint8Array} jcamp
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* @
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* @param {number} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
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* @param {number} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
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* @param {number} [options.dynamicTyping=false] - Convert numbers to Number.
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* @param {number} [options.withoutXY=false] - Remove the XY data.
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* @param {number} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
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* @param {number} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
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* @param {number} [options.noContour=false] - Don't calculate countour in case of 2D.
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* @param {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
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* @param {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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* @param {number} [options.profiling=false] - Add profiling information.
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* @returns {object}
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* @param {ConvertOptions} [options]
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* @returns {ConvertResult}
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export function convert(jcamp, options = {}) {
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let currentEntry = tmpResult;
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let parentsStack = [];
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let spectrum =
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let spectrum = {};
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if (typeof jcamp !== 'string') {
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throw new TypeError('the JCAMP should be a string');
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@@ -127,7 +180,7 @@ export function convert(jcamp, options = {}) {
|
|
|
127
180
|
parsePeakTable(spectrum, dataValue, result);
|
|
128
181
|
}
|
|
129
182
|
currentEntry.spectra.push(spectrum);
|
|
130
|
-
spectrum =
|
|
183
|
+
spectrum = {};
|
|
131
184
|
}
|
|
132
185
|
continue;
|
|
133
186
|
} else if (canonicDataLabel === 'PEAKTABLE') {
|
|
@@ -135,7 +188,7 @@ export function convert(jcamp, options = {}) {
|
|
|
135
188
|
prepareSpectrum(spectrum);
|
|
136
189
|
parsePeakTable(spectrum, dataValue, result);
|
|
137
190
|
currentEntry.spectra.push(spectrum);
|
|
138
|
-
spectrum =
|
|
191
|
+
spectrum = {};
|
|
139
192
|
}
|
|
140
193
|
continue;
|
|
141
194
|
}
|
|
@@ -146,7 +199,7 @@ export function convert(jcamp, options = {}) {
|
|
|
146
199
|
parseXYA(spectrum, dataValue);
|
|
147
200
|
}
|
|
148
201
|
currentEntry.spectra.push(spectrum);
|
|
149
|
-
spectrum =
|
|
202
|
+
spectrum = {};
|
|
150
203
|
}
|
|
151
204
|
continue;
|
|
152
205
|
}
|
package/src/createTree.js
CHANGED
|
@@ -1,12 +1,25 @@
|
|
|
1
1
|
import { ensureString } from 'ensure-string';
|
|
2
2
|
|
|
3
|
+
/**
|
|
4
|
+
*
|
|
5
|
+
* @typedef {object} CreateTreeOptions
|
|
6
|
+
* @property {boolean} [flatten=false]
|
|
7
|
+
*/
|
|
8
|
+
|
|
9
|
+
/**
|
|
10
|
+
*
|
|
11
|
+
* @typedef {object} Tree
|
|
12
|
+
* @property {string} title
|
|
13
|
+
* @property {string} jcamp
|
|
14
|
+
* @property {Tree[]} [children]
|
|
15
|
+
*/
|
|
16
|
+
|
|
3
17
|
/**
|
|
4
18
|
* Parse the jcamp to extract the structure as a tree.
|
|
5
19
|
*
|
|
6
20
|
* @param {string|ArrayBuffer|Uint8Array} jcamp
|
|
7
|
-
* @param {
|
|
8
|
-
* @
|
|
9
|
-
* @returns
|
|
21
|
+
* @param {CreateTreeOptions} [options={}]
|
|
22
|
+
* @returns {Tree[]}
|
|
10
23
|
*/
|
|
11
24
|
export function createTree(jcamp, options = {}) {
|
|
12
25
|
jcamp = ensureString(jcamp);
|
package/CHANGELOG.md
DELETED
|
@@ -1,427 +0,0 @@
|
|
|
1
|
-
# Changelog
|
|
2
|
-
|
|
3
|
-
### [8.2.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.2.1...v8.2.2) (2021-11-05)
|
|
4
|
-
|
|
5
|
-
|
|
6
|
-
### Bug Fixes
|
|
7
|
-
|
|
8
|
-
* replace parseFloat by Number ([e65c194](https://www.github.com/cheminfo/jcampconverter/commit/e65c19483e8c429d73e540614e7e020cdd660e0b))
|
|
9
|
-
|
|
10
|
-
### [8.2.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.2.0...v8.2.1) (2021-09-30)
|
|
11
|
-
|
|
12
|
-
|
|
13
|
-
### Bug Fixes
|
|
14
|
-
|
|
15
|
-
* ensure compatibility with node 12 ([c5c68cc](https://www.github.com/cheminfo/jcampconverter/commit/c5c68cc9de6330088f7c838573369c280ba68ff6))
|
|
16
|
-
* update nmr-processing library ([0732b3a](https://www.github.com/cheminfo/jcampconverter/commit/0732b3a44fd9bd92a721f6694bb98e46d12ea7bd))
|
|
17
|
-
|
|
18
|
-
## [8.2.0](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.5...v8.2.0) (2021-09-07)
|
|
19
|
-
|
|
20
|
-
|
|
21
|
-
### Features
|
|
22
|
-
|
|
23
|
-
* use dynamic-typing package and parse hexadecimal values ([0b584f3](https://www.github.com/cheminfo/jcampconverter/commit/0b584f37b3b5dadbcb9b77ec40124ef5cb0a0af7))
|
|
24
|
-
|
|
25
|
-
### [8.1.5](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.4...v8.1.5) (2021-07-29)
|
|
26
|
-
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|
27
|
-
|
|
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|
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### Bug Fixes
|
|
29
|
-
|
|
30
|
-
* update dependencies ([602f123](https://www.github.com/cheminfo/jcampconverter/commit/602f123e8b0053e5b53bbbcf032122ce1ed82f0d))
|
|
31
|
-
|
|
32
|
-
### [8.1.4](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.3...v8.1.4) (2021-07-12)
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|
33
|
-
|
|
34
|
-
|
|
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|
-
### Bug Fixes
|
|
36
|
-
|
|
37
|
-
* reelase for Zenodo DOI ([973ed64](https://www.github.com/cheminfo/jcampconverter/commit/973ed64d3be6fb1ec1c4830a791b9ee901479f67))
|
|
38
|
-
|
|
39
|
-
### [8.1.3](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.2...v8.1.3) (2021-06-18)
|
|
40
|
-
|
|
41
|
-
|
|
42
|
-
### Bug Fixes
|
|
43
|
-
|
|
44
|
-
* prevent isNaN with dynamicTyping ([c171dcf](https://www.github.com/cheminfo/jcampconverter/commit/c171dcf0c1f9891bf85435c6693aec9c54a98c01))
|
|
45
|
-
|
|
46
|
-
### [8.1.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.1...v8.1.2) (2021-05-27)
|
|
47
|
-
|
|
48
|
-
|
|
49
|
-
### Bug Fixes
|
|
50
|
-
|
|
51
|
-
* more selective to generate 2D ([ee81f1f](https://www.github.com/cheminfo/jcampconverter/commit/ee81f1f2be91411c2dd8f9324c19405aa582b7c9))
|
|
52
|
-
|
|
53
|
-
### [8.1.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.0...v8.1.1) (2021-05-06)
|
|
54
|
-
|
|
55
|
-
|
|
56
|
-
### Bug Fixes
|
|
57
|
-
|
|
58
|
-
* bug in linked spectra and reference ([ec63494](https://www.github.com/cheminfo/jcampconverter/commit/ec63494433b865dc3ed7589763d32afbbc1d2c60))
|
|
59
|
-
|
|
60
|
-
## [8.1.0](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.2...v8.1.0) (2021-05-05)
|
|
61
|
-
|
|
62
|
-
|
|
63
|
-
### Features
|
|
64
|
-
|
|
65
|
-
* remove the cheminfo hack that was parsing cheminfo meta ([1fe8dd5](https://www.github.com/cheminfo/jcampconverter/commit/1fe8dd51c97a98c65818c4f4af712d6c377969e0))
|
|
66
|
-
|
|
67
|
-
### [8.0.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.1...v8.0.2) (2021-04-28)
|
|
68
|
-
|
|
69
|
-
|
|
70
|
-
### Bug Fixes
|
|
71
|
-
|
|
72
|
-
* update ensure-text library ([fbda58e](https://www.github.com/cheminfo/jcampconverter/commit/fbda58eee6fc127141930e9c160b468ddeedf23b))
|
|
73
|
-
|
|
74
|
-
### [8.0.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.0...v8.0.1) (2021-04-28)
|
|
75
|
-
|
|
76
|
-
|
|
77
|
-
### Bug Fixes
|
|
78
|
-
|
|
79
|
-
* noesy without nucleus ([eb9a7b7](https://www.github.com/cheminfo/jcampconverter/commit/eb9a7b7faf13dfa52e1c78b7ec638efcf18ee364))
|
|
80
|
-
|
|
81
|
-
## [8.0.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.10.0...v8.0.0) (2021-04-27)
|
|
82
|
-
|
|
83
|
-
|
|
84
|
-
### ⚠ BREAKING CHANGES
|
|
85
|
-
|
|
86
|
-
* matrix for node CI 12, 14 and 16 and remove node 10 support
|
|
87
|
-
|
|
88
|
-
### Features
|
|
89
|
-
|
|
90
|
-
* jcamp may also be an ArrayBuffer and not only a string ([58b2a38](https://www.github.com/cheminfo/jcampconverter/commit/58b2a3813b8b368d4f72f13f65f086b1f321ce43))
|
|
91
|
-
|
|
92
|
-
## [7.10.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.9.0...v7.10.0) (2021-04-27)
|
|
93
|
-
|
|
94
|
-
|
|
95
|
-
### Features
|
|
96
|
-
|
|
97
|
-
* If ##$cheminfo LDR, parsed the value as a JSON ([2c65658](https://www.github.com/cheminfo/jcampconverter/commit/2c65658331103f4552ffa7def310e695911424c3))
|
|
98
|
-
|
|
99
|
-
## [7.8.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.7.0...v7.8.0) (2021-03-24)
|
|
100
|
-
|
|
101
|
-
### Features
|
|
102
|
-
|
|
103
|
-
* improve 2D noise detection by using the full 2D spectrum ([7607af3](https://www.github.com/cheminfo/jcampconverter/commit/7607af3940945d9e794bf926a09e2e90b4d9efdf))
|
|
104
|
-
|
|
105
|
-
|
|
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|
-
### Bug Fixes
|
|
107
|
-
|
|
108
|
-
* update dependencies and readme ([65d11ec](https://www.github.com/cheminfo/jcampconverter/commit/65d11eca3b79ff84f28a0e48e7270fbc24242ae1))
|
|
109
|
-
|
|
110
|
-
## [7.7.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.6...v7.7.0) (2021-02-10)
|
|
111
|
-
|
|
112
|
-
|
|
113
|
-
### Features
|
|
114
|
-
|
|
115
|
-
* ignore deltaX and calculate firstX-lastX / npoints ([8aff051](https://www.github.com/cheminfo/jcampconverter/commit/8aff051d7c095933e0f01ae171801a871a1e27cf))
|
|
116
|
-
|
|
117
|
-
### [7.6.6](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.5...v7.6.6) (2021-01-18)
|
|
118
|
-
|
|
119
|
-
|
|
120
|
-
### Bug Fixes
|
|
121
|
-
|
|
122
|
-
* deal with 2D jcamp without all .nucleus ([3cf7cc0](https://www.github.com/cheminfo/jcampconverter/commit/3cf7cc0907866505f430f4cf359d3b6e0f711878))
|
|
123
|
-
|
|
124
|
-
### [7.6.5](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.4...v7.6.5) (2020-10-27)
|
|
125
|
-
|
|
126
|
-
|
|
127
|
-
### Bug Fixes
|
|
128
|
-
|
|
129
|
-
* correct dynamic typing ([bdd061f](https://www.github.com/cheminfo/jcampconverter/commit/bdd061ff2fc2c905122ba0bb677891b47265c527))
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|
130
|
-
|
|
131
|
-
### [7.6.4](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.3...v7.6.4) (2020-10-27)
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-
|
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### Bug Fixes
|
|
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|
-
|
|
136
|
-
* nmr-processing dependency ([797bc76](https://www.github.com/cheminfo/jcampconverter/commit/797bc767cc129ec6bdf16f74635cd2bd6fc28a41))
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|
137
|
-
|
|
138
|
-
### [7.6.3](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.2...v7.6.3) (2020-10-14)
|
|
139
|
-
|
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|
-
|
|
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-
### Bug Fixes
|
|
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|
-
|
|
143
|
-
* remove worker from documentation ([9c47fe3](https://www.github.com/cheminfo/jcampconverter/commit/9c47fe31a7d3944fb17c01677f6e58be679cc474))
|
|
144
|
-
|
|
145
|
-
### [7.6.2](https://github.com/cheminfo/jcampconverter/compare/v7.6.1...v7.6.2) (2020-10-14)
|
|
146
|
-
|
|
147
|
-
## [7.3.1](https://github.com/cheminfo/jcampconverter/compare/v7.2.0...v7.3.1) (2020-06-24)
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|
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|
-
|
|
149
|
-
|
|
150
|
-
### Bug Fixes
|
|
151
|
-
|
|
152
|
-
* variables has always lowercase property ([32bc505](https://github.com/cheminfo/jcampconverter/commit/32bc505c61645430270b2a0eb09e7bff01460bf6))
|
|
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|
-
|
|
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|
-
|
|
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|
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### Features
|
|
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|
-
|
|
157
|
-
* add data in variables ([dcd2966](https://github.com/cheminfo/jcampconverter/commit/dcd2966ed0de32e6e63207593c1a52bdc5986e49))
|
|
158
|
-
* apply NMR conversion to ppm as a postProcessing process ([dcd0ea9](https://github.com/cheminfo/jcampconverter/commit/dcd0ea96b63241afb11ffc5dea779571c4e4650b))
|
|
159
|
-
|
|
160
|
-
|
|
161
|
-
|
|
162
|
-
# [7.2.0](https://github.com/cheminfo/jcampconverter/compare/v7.1.0...v7.2.0) (2020-06-20)
|
|
163
|
-
|
|
164
|
-
|
|
165
|
-
### Features
|
|
166
|
-
|
|
167
|
-
* change xUnits for ntuples to add varname + unit ([92eae09](https://github.com/cheminfo/jcampconverter/commit/92eae094aedaf911a5437c8578a76679d6bb3ae9))
|
|
168
|
-
|
|
169
|
-
|
|
170
|
-
|
|
171
|
-
# [7.1.0](https://github.com/cheminfo/jcampconverter/compare/v7.0.0...v7.1.0) (2020-06-11)
|
|
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|
-
|
|
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|
-
|
|
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### Bug Fixes
|
|
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|
-
|
|
176
|
-
* rename xUnit and yUnit to xUnits and yUnits ([d50c6fe](https://github.com/cheminfo/jcampconverter/commit/d50c6feb0db96e2bd10bdae70b6fead0b30ea1c3))
|
|
177
|
-
|
|
178
|
-
|
|
179
|
-
### BREAKING CHANGES
|
|
180
|
-
|
|
181
|
-
* In the returned value the variables has been
|
|
182
|
-
renamed to xUnits and yUnits to keep the LDR of
|
|
183
|
-
the jcamp
|
|
184
|
-
|
|
185
|
-
|
|
186
|
-
|
|
187
|
-
# [7.0.0](https://github.com/cheminfo/jcampconverter/compare/v6.0.1...v7.0.0) (2020-06-11)
|
|
188
|
-
|
|
189
|
-
|
|
190
|
-
|
|
191
|
-
## [6.0.1](https://github.com/cheminfo/jcampconverter/compare/v6.0.0...v6.0.1) (2020-06-10)
|
|
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|
-
|
|
193
|
-
|
|
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|
-
### Bug Fixes
|
|
195
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-
|
|
196
|
-
* improve 2d spectra discovery ([5a7c15a](https://github.com/cheminfo/jcampconverter/commit/5a7c15afbadb133d3ecb89d5e816354c0d207441))
|
|
197
|
-
* improve detection of 2d spectra ([02e966f](https://github.com/cheminfo/jcampconverter/commit/02e966f108578578fe717d259b16a7c933a0db44))
|
|
198
|
-
* ntuples separator must contain a comma ([3bbf182](https://github.com/cheminfo/jcampconverter/commit/3bbf1829acffeeed4a888fd502afdd6637d070b8))
|
|
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|
-
|
|
200
|
-
|
|
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|
-
|
|
202
|
-
# [6.0.0](https://github.com/cheminfo/jcampconverter/compare/v5.0.2...v6.0.0) (2020-06-10)
|
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|
-
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|
-
|
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-
### Features
|
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|
-
|
|
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|
-
* add parsing of multivariable NTUPLE PEAKS ([872a43f](https://github.com/cheminfo/jcampconverter/commit/872a43fa9867b84247138bd939cd455c386e7e46))
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|
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|
-
|
|
209
|
-
|
|
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|
-
|
|
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|
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## [5.0.2](https://github.com/cheminfo/jcampconverter/compare/v5.0.1...v5.0.2) (2020-04-08)
|
|
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|
-
|
|
213
|
-
|
|
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|
-
|
|
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|
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## [5.0.1](https://github.com/cheminfo/jcampconverter/compare/v5.0.0...v5.0.1) (2020-04-04)
|
|
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-
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|
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|
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### Bug Fixes
|
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-
|
|
220
|
-
* 2d matrix minX / maxX ([447606d](https://github.com/cheminfo/jcampconverter/commit/447606df8a952d3c19dec3306d8aa2f09ee402b0))
|
|
221
|
-
|
|
222
|
-
|
|
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|
-
|
|
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# [5.0.0](https://github.com/cheminfo/jcampconverter/compare/v4.1.1...v5.0.0) (2020-04-04)
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* rollup and build ([eef5d66](https://github.com/cheminfo/jcampconverter/commit/eef5d66dbeccdfd907dc86ce1cd8aa1429a544f3))
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## [4.1.1](https://github.com/cheminfo/jcampconverter/compare/v4.1.0...v4.1.1) (2020-04-02)
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### Bug Fixes
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* allow jcamp with no data ([4365d79](https://github.com/cheminfo/jcampconverter/commit/4365d79b16fa6f1651e6a2d4a1626107d0072e8a))
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## [2.10.2](https://github.com/cheminfo/jcampconverter/compare/v2.10.1...v2.10.2) (2018-11-23)
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## [2.9.1](https://github.com/cheminfo/jcampconverter/compare/v2.9.0...v2.9.1) (2017-10-19)
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# [2.9.0](https://github.com/cheminfo/jcampconverter/compare/v2.8.0...v2.9.0) (2017-09-13)
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### Features
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* read mestrec file ([5e485f2](https://github.com/cheminfo/jcampconverter/commit/5e485f2))
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# [2.8.0](https://github.com/cheminfo/jcampconverter/compare/v2.7.0...v2.8.0) (2017-08-09)
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### Features
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* change newGCMS to chromatogram ([1941f48](https://github.com/cheminfo/jcampconverter/commit/1941f48))
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# [2.7.0](https://github.com/cheminfo/jcampconverter/compare/v2.6.0...v2.7.0) (2016-09-15)
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# [2.6.0](https://github.com/cheminfo/jcampconverter/compare/v2.5.1...v2.6.0) (2016-07-11)
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### Features
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* add noContour option ([ab5ff6b](https://github.com/cheminfo/jcampconverter/commit/ab5ff6b))
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## [2.5.1](https://github.com/cheminfo/jcampconverter/compare/v2.5.0...v2.5.1) (2016-06-27)
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### Bug Fixes
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* more wantXY checks ([c87a97d](https://github.com/cheminfo/jcampconverter/commit/c87a97d))
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# [2.5.0](https://github.com/cheminfo/jcampconverter/compare/v2.4.5...v2.5.0) (2016-06-27)
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## [2.4.5](https://github.com/cheminfo/jcampconverter/compare/v2.4.4...v2.4.5) (2016-05-06)
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## [2.4.4](https://github.com/cheminfo/jcampconverter/compare/v2.4.3...v2.4.4) (2016-05-06)
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## [2.4.3](https://github.com/cheminfo/jcampconverter/compare/v2.4.2...v2.4.3) (2016-05-04)
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## [2.4.2](https://github.com/cheminfo/jcampconverter/compare/v2.4.1...v2.4.2) (2016-05-04)
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## [2.4.1](https://github.com/cheminfo/jcampconverter/compare/v2.4.0...v2.4.1) (2016-05-04)
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# [2.4.0](https://github.com/cheminfo/jcampconverter/compare/v2.3.0...v2.4.0) (2016-05-04)
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# [2.3.0](https://github.com/cheminfo/jcampconverter/compare/v2.2.2...v2.3.0) (2016-03-14)
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## [2.2.2](https://github.com/cheminfo/jcampconverter/compare/v2.2.1...v2.2.2) (2016-03-07)
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## [2.2.1](https://github.com/cheminfo/jcampconverter/compare/v2.2.0...v2.2.1) (2016-03-04)
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# [2.2.0](https://github.com/cheminfo/jcampconverter/compare/v2.1.0...v2.2.0) (2016-02-25)
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# [2.1.0](https://github.com/cheminfo/jcampconverter/compare/v2.0.9...v2.1.0) (2015-07-21)
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## [2.0.9](https://github.com/cheminfo/jcampconverter/compare/v2.0.8...v2.0.9) (2015-05-29)
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<a name="2.0.8"></a>
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## [2.0.8](https://github.com/cheminfo/jcampconverter/compare/v2.0.7...v2.0.8) (2015-03-10)
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## [2.0.7](https://github.com/cheminfo/jcampconverter/compare/v2.0.6...v2.0.7) (2015-03-06)
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## [2.0.6](https://github.com/cheminfo/jcampconverter/compare/v2.0.5...v2.0.6) (2015-03-05)
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<a name="2.0.5"></a>
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## [2.0.5](https://github.com/cheminfo/jcampconverter/compare/v2.0.4...v2.0.5) (2015-02-19)
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<a name="2.0.4"></a>
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## [2.0.4](https://github.com/cheminfo/jcampconverter/compare/v2.0.3...v2.0.4) (2015-02-10)
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<a name="2.0.3"></a>
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## [2.0.3](https://github.com/cheminfo/jcampconverter/compare/v2.0.2...v2.0.3) (2015-01-23)
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<a name="2.0.2"></a>
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## [2.0.2](https://github.com/cheminfo/jcampconverter/compare/v2.0.1...v2.0.2) (2015-01-23)
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## [2.0.1](https://github.com/cheminfo/jcampconverter/compare/v2.0.0...v2.0.1) (2014-10-20)
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<a name="2.0.0"></a>
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# [2.0.0](https://github.com/cheminfo/jcampconverter/compare/v1.0.4...v2.0.0) (2014-10-20)
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<a name="1.0.4"></a>
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## [1.0.4](https://github.com/cheminfo/jcampconverter/compare/v1.0.3...v1.0.4) (2014-10-16)
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<a name="1.0.3"></a>
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## [1.0.3](https://github.com/cheminfo/jcampconverter/compare/v1.0.2...v1.0.3) (2014-10-06)
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<a name="1.0.2"></a>
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## [1.0.2](https://github.com/cheminfo/jcampconverter/compare/v1.0.1...v1.0.2) (2014-10-06)
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<a name="1.0.1"></a>
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## [1.0.1](https://github.com/cheminfo/jcampconverter/compare/v1.0.0...v1.0.1) (2014-10-06)
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<a name="1.0.0"></a>
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# 1.0.0 (2014-10-06)
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