nmr-processing 9.7.7 → 9.7.9-pre.1690349439

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.
Files changed (541) hide show
  1. package/lib/apodization/compose.js +1 -1
  2. package/lib/apodization/compose.js.map +1 -1
  3. package/lib/assignment/get13CAssignments.d.ts +1 -1
  4. package/lib/assignment/get13CAssignments.js +3 -3
  5. package/lib/assignment/get13CAssignments.js.map +1 -1
  6. package/lib/assignment/get1HAssignments.d.ts +2 -4
  7. package/lib/assignment/get1HAssignments.js +3 -3
  8. package/lib/assignment/get1HAssignments.js.map +1 -1
  9. package/lib/assignment/getAssignments.d.ts +3 -5
  10. package/lib/assignment/getAssignments.js +5 -5
  11. package/lib/assignment/getAssignments.js.map +1 -1
  12. package/lib/assignment/nmrAssigment.d.ts +2 -2
  13. package/lib/assignment/utils/addSolution.d.ts +13 -0
  14. package/lib/assignment/utils/addSolution.js +29 -0
  15. package/lib/assignment/utils/addSolution.js.map +1 -0
  16. package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.d.ts +13 -27
  17. package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
  18. package/lib/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
  19. package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
  20. package/lib/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
  21. package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.d.ts +3 -7
  22. package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
  23. package/lib/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
  24. package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.d.ts +1 -1
  25. package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
  26. package/lib/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
  27. package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
  28. package/lib/assignment/utils/generalAssignment/formatData.js.map +1 -0
  29. package/lib/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  30. package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.d.ts +2 -4
  31. package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
  32. package/lib/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
  33. package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.d.ts +1 -1
  34. package/lib/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
  35. package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
  36. package/lib/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  37. package/lib/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
  38. package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.d.ts +1 -3
  39. package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
  40. package/lib/assignment/utils/generalAssignment/partialScore.js.map +1 -0
  41. package/lib/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
  42. package/lib/assignment/utils/{buildAssignments.d.ts → oneDimensionalAssignment/buildAssignments.d.ts} +2 -4
  43. package/lib/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
  44. package/lib/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
  45. package/lib/assignment/utils/{createMapPossibleAssignments.d.ts → oneDimensionalAssignment/createMapPossibleAssignments.d.ts} +3 -5
  46. package/lib/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
  47. package/lib/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
  48. package/lib/assignment/utils/{exploreTreeRec.d.ts → oneDimensionalAssignment/exploreTreeRec.d.ts} +1 -1
  49. package/lib/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
  50. package/lib/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
  51. package/lib/assignment/utils/{partialScore.d.ts → oneDimensionalAssignment/partialScore.d.ts} +1 -1
  52. package/lib/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
  53. package/lib/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
  54. package/lib/constants/SignalsKinds.d.ts +2 -2
  55. package/lib/constants/SignalsKinds.js.map +1 -1
  56. package/lib/constants/couplingValues.d.ts +1 -3
  57. package/lib/constants/couplingValues.js.map +1 -1
  58. package/lib/constants/impurities.d.ts +1509 -6
  59. package/lib/constants/impurities.js +2 -1
  60. package/lib/constants/impurities.js.map +1 -1
  61. package/lib/databases/getDatabase.js +1 -1
  62. package/lib/databases/getDatabase.js.map +1 -1
  63. package/lib/datum/Filters.js +4 -0
  64. package/lib/datum/Filters.js.map +1 -1
  65. package/lib/datum/FiltersManager.d.ts +1 -1
  66. package/lib/datum/FiltersManager.js +2 -2
  67. package/lib/datum/FiltersManager.js.map +1 -1
  68. package/lib/datum/MatrixOptions.d.ts +2 -2
  69. package/lib/datum/data1d/Entry1D.d.ts +1 -1
  70. package/lib/datum/data1d/filter1d/baselineCorrection.js +4 -4
  71. package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  72. package/lib/datum/data1d/filter1d/digitalFilter.js +2 -2
  73. package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  74. package/lib/datum/data1d/filter1d/fft.js +7 -7
  75. package/lib/datum/data1d/filter1d/fft.js.map +1 -1
  76. package/lib/datum/data1d/filter1d/phaseCorrection.js +3 -3
  77. package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  78. package/lib/datum/data1d/filter1d/signalProcessing.js +1 -1
  79. package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  80. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  81. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  82. package/lib/datum/data1d/filter1d/zeroFilling.js +8 -8
  83. package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  84. package/lib/datum/data1d/utils/mapPeaks.js +1 -1
  85. package/lib/datum/data1d/utils/mapPeaks.js.map +1 -1
  86. package/lib/datum/data2d/Entry2D.d.ts +1 -1
  87. package/lib/datum/data2d/filter2d/fftDimension1.d.ts +15 -0
  88. package/lib/datum/data2d/filter2d/fftDimension1.js +49 -0
  89. package/lib/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  90. package/lib/datum/data2d/filter2d/fftDimension2.d.ts +15 -0
  91. package/lib/datum/data2d/filter2d/fftDimension2.js +60 -0
  92. package/lib/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  93. package/lib/datum/data2d/utils/getShift.js +1 -1
  94. package/lib/datum/data2d/utils/getShift.js.map +1 -1
  95. package/lib/multiplicity/joinPatterns.js +1 -1
  96. package/lib/multiplicity/joinPatterns.js.map +1 -1
  97. package/lib/multiplicity/splitPatterns.js +1 -1
  98. package/lib/multiplicity/splitPatterns.js.map +1 -1
  99. package/lib/peaks/peakToXY.d.ts +1 -1
  100. package/lib/peaks/peaksFilterImpurities.js +7 -6
  101. package/lib/peaks/peaksFilterImpurities.js.map +1 -1
  102. package/lib/peaks/peaksToRanges.js +17 -17
  103. package/lib/peaks/peaksToRanges.js.map +1 -1
  104. package/lib/peaks/peaksToXY.d.ts +1 -1
  105. package/lib/peaks/solventSuppression.js +11 -11
  106. package/lib/peaks/solventSuppression.js.map +1 -1
  107. package/lib/peaks/util/addMissingIDs.js.map +1 -1
  108. package/lib/peaks/util/determineRealTop.js +32 -32
  109. package/lib/peaks/util/determineRealTop.js.map +1 -1
  110. package/lib/peaks/util/getKernel.js +4 -4
  111. package/lib/peaks/util/getKernel.js.map +1 -1
  112. package/lib/peaks/util/peakOptimizer.js +17 -17
  113. package/lib/peaks/util/peakOptimizer.js.map +1 -1
  114. package/lib/peaks/util/setIDs.js.map +1 -1
  115. package/lib/prediction/dataStructure.d.ts +1 -3
  116. package/lib/prediction/predictAll.js +2 -1
  117. package/lib/prediction/predictAll.js.map +1 -1
  118. package/lib/prediction/predictCOSY.js +1 -1
  119. package/lib/prediction/predictCOSY.js.map +1 -1
  120. package/lib/prediction/predictCarbon.js +6 -6
  121. package/lib/prediction/predictCarbon.js.map +1 -1
  122. package/lib/prediction/predictHMBC.js +1 -1
  123. package/lib/prediction/predictHMBC.js.map +1 -1
  124. package/lib/prediction/predictHSQC.js +1 -1
  125. package/lib/prediction/predictHSQC.js.map +1 -1
  126. package/lib/prediction/predictProton.js +9 -9
  127. package/lib/prediction/predictProton.js.map +1 -1
  128. package/lib/prediction/utils/getFilteredIDiaIDs.js +3 -3
  129. package/lib/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  130. package/lib/prediction/utils/getNuclei.d.ts +1 -3
  131. package/lib/prediction/utils/getNuclei.js.map +1 -1
  132. package/lib/prediction/utils/predict2D.d.ts +1 -3
  133. package/lib/prediction/utils/predict2D.js +17 -17
  134. package/lib/prediction/utils/predict2D.js.map +1 -1
  135. package/lib/prediction/utils/queryByHOSE.js +1 -1
  136. package/lib/prediction/utils/queryByHOSE.js.map +1 -1
  137. package/lib/ranges/markSolventSignal.js +8 -8
  138. package/lib/ranges/markSolventSignal.js.map +1 -1
  139. package/lib/ranges/rangesToACS.js +6 -6
  140. package/lib/ranges/rangesToACS.js.map +1 -1
  141. package/lib/ranges/rangesToXY.js +6 -6
  142. package/lib/ranges/rangesToXY.js.map +1 -1
  143. package/lib/signal/signalJoinCouplings.js +19 -12
  144. package/lib/signal/signalJoinCouplings.js.map +1 -1
  145. package/lib/signal/signalMultiplicityPattern.js +2 -2
  146. package/lib/signal/signalMultiplicityPattern.js.map +1 -1
  147. package/lib/signals/addDummySignals.js +4 -4
  148. package/lib/signals/addDummySignals.js.map +1 -1
  149. package/lib/signals/hackSignalsToXY.js +1 -1
  150. package/lib/signals/hackSignalsToXY.js.map +1 -1
  151. package/lib/signals/optimization/getInternalSignals.js +6 -6
  152. package/lib/signals/optimization/getInternalSignals.js.map +1 -1
  153. package/lib/signals/optimization/getSumOfShapes.js +1 -1
  154. package/lib/signals/optimization/getSumOfShapes.js.map +1 -1
  155. package/lib/signals/optimizeSignals.js +3 -3
  156. package/lib/signals/optimizeSignals.js.map +1 -1
  157. package/lib/signals/signals2DToZ.js +3 -2
  158. package/lib/signals/signals2DToZ.js.map +1 -1
  159. package/lib/signals/signalsJoin.js +5 -5
  160. package/lib/signals/signalsJoin.js.map +1 -1
  161. package/lib/signals/signalsToFID.js +1 -1
  162. package/lib/signals/signalsToFID.js.map +1 -1
  163. package/lib/signals/signalsToRanges.js +3 -3
  164. package/lib/signals/signalsToRanges.js.map +1 -1
  165. package/lib/signals/signalsToXY.js +3 -3
  166. package/lib/signals/signalsToXY.js.map +1 -1
  167. package/lib/signals/simulation/signalsToSpinSystem.js +2 -2
  168. package/lib/signals/simulation/signalsToSpinSystem.js.map +1 -1
  169. package/lib/signals/simulation/simulate1D.js +2 -2
  170. package/lib/signals/simulation/simulate1D.js.map +1 -1
  171. package/lib/signals/simulation/simulateXYPeaks.js +15 -17
  172. package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
  173. package/lib/signals/simulation/splitSpinSystem.js +26 -23
  174. package/lib/signals/simulation/splitSpinSystem.js.map +1 -1
  175. package/lib/signals/utils/jAnalyzer.js +38 -38
  176. package/lib/signals/utils/jAnalyzer.js.map +1 -1
  177. package/lib/types/Integrals.d.ts +1 -1
  178. package/lib/types/Peaks/Peaks.d.ts +1 -1
  179. package/lib/types/Ranges/Ranges.d.ts +1 -1
  180. package/lib/types/Zones/Zone.d.ts +1 -1
  181. package/lib/types/Zones/Zones.d.ts +1 -1
  182. package/lib/utilities/getFrequency.js +1 -1
  183. package/lib/utilities/getFrequency.js.map +1 -1
  184. package/lib/utilities/resurrectRange.js +1 -1
  185. package/lib/utilities/resurrectRange.js.map +1 -1
  186. package/lib/xy/xyAutoPeaksPicking.js +3 -3
  187. package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
  188. package/lib/xyz/quadrature.js +6 -6
  189. package/lib/xyz/quadrature.js.map +1 -1
  190. package/lib/xyz/util/fft2d/digitalFilter.js +3 -3
  191. package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -1
  192. package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +1 -1
  193. package/lib/xyz/util/fft2d/fftDirectDimension.js +4 -3
  194. package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
  195. package/lib/xyz/util/fft2d/fftIndirectDimension.js +5 -4
  196. package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
  197. package/lib/xyz/util/fft2d/removeDCOffset.js +1 -1
  198. package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -1
  199. package/lib/xyz/util/fft2d/zeroFilling.js +4 -6
  200. package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -1
  201. package/lib/xyz/util/formatZone.js +3 -3
  202. package/lib/xyz/util/formatZone.js.map +1 -1
  203. package/lib/xyz/util/getMinMaxXY.d.ts +6 -0
  204. package/lib/xyz/util/getMinMaxXY.js +23 -0
  205. package/lib/xyz/util/getMinMaxXY.js.map +1 -0
  206. package/lib/xyz/util/padData.js +7 -7
  207. package/lib/xyz/util/padData.js.map +1 -1
  208. package/lib/xyz/xyzAutoSignalsPicking.js +19 -18
  209. package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
  210. package/lib/xyz/xyzBidimensionalFFT.js +2 -19
  211. package/lib/xyz/xyzBidimensionalFFT.js.map +1 -1
  212. package/lib/xyz/xyzJResAnalyzer.js +21 -21
  213. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  214. package/lib-esm/apodization/compose.js +1 -1
  215. package/lib-esm/apodization/compose.js.map +1 -1
  216. package/lib-esm/assignment/get13CAssignments.js +3 -3
  217. package/lib-esm/assignment/get13CAssignments.js.map +1 -1
  218. package/lib-esm/assignment/get1HAssignments.js +3 -3
  219. package/lib-esm/assignment/get1HAssignments.js.map +1 -1
  220. package/lib-esm/assignment/getAssignments.js +5 -5
  221. package/lib-esm/assignment/getAssignments.js.map +1 -1
  222. package/lib-esm/assignment/utils/addSolution.js +25 -0
  223. package/lib-esm/assignment/utils/addSolution.js.map +1 -0
  224. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
  225. package/lib-esm/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
  226. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
  227. package/lib-esm/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
  228. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
  229. package/lib-esm/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
  230. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
  231. package/lib-esm/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
  232. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
  233. package/lib-esm/assignment/utils/generalAssignment/formatData.js.map +1 -0
  234. package/lib-esm/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  235. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
  236. package/lib-esm/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
  237. package/lib-esm/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
  238. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
  239. package/lib-esm/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  240. package/lib-esm/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
  241. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
  242. package/lib-esm/assignment/utils/generalAssignment/partialScore.js.map +1 -0
  243. package/lib-esm/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
  244. package/lib-esm/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
  245. package/lib-esm/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
  246. package/lib-esm/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
  247. package/lib-esm/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
  248. package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
  249. package/lib-esm/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
  250. package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
  251. package/lib-esm/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
  252. package/lib-esm/constants/SignalsKinds.js.map +1 -1
  253. package/lib-esm/constants/couplingValues.js.map +1 -1
  254. package/lib-esm/constants/impurities.js +2 -1
  255. package/lib-esm/constants/impurities.js.map +1 -1
  256. package/lib-esm/databases/getDatabase.js +1 -1
  257. package/lib-esm/databases/getDatabase.js.map +1 -1
  258. package/lib-esm/datum/Filters.js +4 -0
  259. package/lib-esm/datum/Filters.js.map +1 -1
  260. package/lib-esm/datum/FiltersManager.js +2 -2
  261. package/lib-esm/datum/FiltersManager.js.map +1 -1
  262. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +4 -4
  263. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  264. package/lib-esm/datum/data1d/filter1d/digitalFilter.js +2 -2
  265. package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  266. package/lib-esm/datum/data1d/filter1d/fft.js +7 -7
  267. package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
  268. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +3 -3
  269. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  270. package/lib-esm/datum/data1d/filter1d/signalProcessing.js +1 -1
  271. package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  272. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  273. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  274. package/lib-esm/datum/data1d/filter1d/zeroFilling.js +8 -8
  275. package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  276. package/lib-esm/datum/data1d/utils/mapPeaks.js +1 -1
  277. package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -1
  278. package/lib-esm/datum/data2d/filter2d/fftDimension1.js +43 -0
  279. package/lib-esm/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  280. package/lib-esm/datum/data2d/filter2d/fftDimension2.js +54 -0
  281. package/lib-esm/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  282. package/lib-esm/datum/data2d/utils/getShift.js +1 -1
  283. package/lib-esm/datum/data2d/utils/getShift.js.map +1 -1
  284. package/lib-esm/multiplicity/joinPatterns.js +1 -1
  285. package/lib-esm/multiplicity/joinPatterns.js.map +1 -1
  286. package/lib-esm/multiplicity/splitPatterns.js +1 -1
  287. package/lib-esm/multiplicity/splitPatterns.js.map +1 -1
  288. package/lib-esm/peaks/peaksFilterImpurities.js +7 -6
  289. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  290. package/lib-esm/peaks/peaksToRanges.js +17 -17
  291. package/lib-esm/peaks/peaksToRanges.js.map +1 -1
  292. package/lib-esm/peaks/solventSuppression.js +11 -11
  293. package/lib-esm/peaks/solventSuppression.js.map +1 -1
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  347. package/lib-esm/signals/signalsToRanges.js +3 -3
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  365. package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
  366. package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
  367. package/lib-esm/xyz/quadrature.js +6 -6
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  370. package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -1
  371. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +4 -3
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  373. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +5 -4
  374. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
  375. package/lib-esm/xyz/util/fft2d/removeDCOffset.js +1 -1
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  377. package/lib-esm/xyz/util/fft2d/zeroFilling.js +4 -6
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  381. package/lib-esm/xyz/util/getMinMaxXY.js +19 -0
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  383. package/lib-esm/xyz/util/padData.js +7 -7
  384. package/lib-esm/xyz/util/padData.js.map +1 -1
  385. package/lib-esm/xyz/xyzAutoSignalsPicking.js +19 -18
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  387. package/lib-esm/xyz/xyzBidimensionalFFT.js +1 -18
  388. package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -1
  389. package/lib-esm/xyz/xyzJResAnalyzer.js +21 -21
  390. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  391. package/package.json +5 -5
  392. package/src/apodization/compose.ts +1 -1
  393. package/src/assignment/get13CAssignments.ts +6 -3
  394. package/src/assignment/get1HAssignments.ts +7 -6
  395. package/src/assignment/getAssignments.ts +7 -7
  396. package/src/assignment/nmrAssigment.ts +2 -2
  397. package/src/assignment/utils/addSolution.ts +45 -0
  398. package/src/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.ts +29 -36
  399. package/src/assignment/utils/{getAssignment → generalAssignment}/checkIDs.ts +6 -6
  400. package/src/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.ts +10 -14
  401. package/src/assignment/utils/{getAssignment → generalAssignment}/exploreTree.ts +7 -8
  402. package/src/assignment/utils/{getAssignment → generalAssignment}/formatData.ts +5 -5
  403. package/src/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.ts +3 -5
  404. package/src/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.ts +2 -5
  405. package/src/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.ts +8 -8
  406. package/src/assignment/utils/{getAssignment → generalAssignment}/partialScore.ts +25 -29
  407. package/src/assignment/utils/{buildAssignments.ts → oneDimensionalAssignment/buildAssignments.ts} +6 -8
  408. package/src/assignment/utils/{createMapPossibleAssignments.ts → oneDimensionalAssignment/createMapPossibleAssignments.ts} +9 -9
  409. package/src/assignment/utils/{exploreTreeRec.ts → oneDimensionalAssignment/exploreTreeRec.ts} +8 -9
  410. package/src/assignment/utils/{partialScore.ts → oneDimensionalAssignment/partialScore.ts} +10 -12
  411. package/src/constants/SignalsKinds.ts +1 -1
  412. package/src/constants/couplingValues.ts +1 -1
  413. package/src/constants/impurities.ts +14 -15
  414. package/src/databases/getDatabase.ts +1 -1
  415. package/src/datum/Filters.ts +4 -0
  416. package/src/datum/FiltersManager.ts +3 -3
  417. package/src/datum/MatrixOptions.ts +1 -1
  418. package/src/datum/data1d/Entry1D.ts +1 -1
  419. package/src/datum/data1d/filter1d/baselineCorrection.ts +4 -4
  420. package/src/datum/data1d/filter1d/digitalFilter.ts +2 -2
  421. package/src/datum/data1d/filter1d/fft.ts +7 -7
  422. package/src/datum/data1d/filter1d/phaseCorrection.ts +3 -3
  423. package/src/datum/data1d/filter1d/signalProcessing.ts +1 -1
  424. package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +2 -2
  425. package/src/datum/data1d/filter1d/zeroFilling.ts +10 -9
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  427. package/src/datum/data2d/Entry2D.ts +1 -1
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  429. package/src/datum/data2d/filter2d/fftDimension2.ts +72 -0
  430. package/src/datum/data2d/utils/getShift.ts +1 -1
  431. package/src/ml-tree-set.d.ts +1 -1
  432. package/src/multiplicity/joinPatterns.ts +3 -1
  433. package/src/multiplicity/splitPatterns.ts +1 -1
  434. package/src/peaks/peaksFilterImpurities.ts +7 -6
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  436. package/src/peaks/solventSuppression.ts +11 -11
  437. package/src/peaks/util/addMissingIDs.ts +1 -1
  438. package/src/peaks/util/determineRealTop.ts +32 -32
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  440. package/src/peaks/util/peakOptimizer.ts +17 -17
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  446. package/src/prediction/predictHMBC.ts +1 -1
  447. package/src/prediction/predictHSQC.ts +1 -1
  448. package/src/prediction/predictProton.ts +9 -9
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