nmr-processing 9.7.8 → 9.8.0

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 (583) 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/degreeToRadians.d.ts +1 -0
  59. package/lib/constants/degreeToRadians.js +5 -0
  60. package/lib/constants/degreeToRadians.js.map +1 -0
  61. package/lib/constants/impurities.d.ts +1509 -6
  62. package/lib/constants/impurities.js +2 -1
  63. package/lib/constants/impurities.js.map +1 -1
  64. package/lib/databases/getDatabase.js +1 -1
  65. package/lib/databases/getDatabase.js.map +1 -1
  66. package/lib/datum/Filters.js +4 -0
  67. package/lib/datum/Filters.js.map +1 -1
  68. package/lib/datum/FiltersManager.d.ts +1 -1
  69. package/lib/datum/FiltersManager.js +2 -2
  70. package/lib/datum/FiltersManager.js.map +1 -1
  71. package/lib/datum/MatrixOptions.d.ts +2 -2
  72. package/lib/datum/data1d/Entry1D.d.ts +1 -1
  73. package/lib/datum/data1d/filter1d/baselineCorrection.js +4 -4
  74. package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  75. package/lib/datum/data1d/filter1d/digitalFilter.js +2 -2
  76. package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  77. package/lib/datum/data1d/filter1d/fft.js +7 -7
  78. package/lib/datum/data1d/filter1d/fft.js.map +1 -1
  79. package/lib/datum/data1d/filter1d/phaseCorrection.js +3 -3
  80. package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  81. package/lib/datum/data1d/filter1d/signalProcessing.js +1 -1
  82. package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  83. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  84. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  85. package/lib/datum/data1d/filter1d/zeroFilling.js +8 -8
  86. package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  87. package/lib/datum/data1d/utils/mapPeaks.js +1 -1
  88. package/lib/datum/data1d/utils/mapPeaks.js.map +1 -1
  89. package/lib/datum/data2d/Entry2D.d.ts +1 -1
  90. package/lib/datum/data2d/filter2d/fftDimension1.d.ts +15 -0
  91. package/lib/datum/data2d/filter2d/fftDimension1.js +69 -0
  92. package/lib/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  93. package/lib/datum/data2d/filter2d/fftDimension2.d.ts +15 -0
  94. package/lib/datum/data2d/filter2d/fftDimension2.js +78 -0
  95. package/lib/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  96. package/lib/datum/data2d/utils/getShift.js +1 -1
  97. package/lib/datum/data2d/utils/getShift.js.map +1 -1
  98. package/lib/multiplicity/splitPatterns.js +1 -1
  99. package/lib/multiplicity/splitPatterns.js.map +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/solventSuppression.js +11 -11
  105. package/lib/peaks/solventSuppression.js.map +1 -1
  106. package/lib/peaks/util/addMissingIDs.js.map +1 -1
  107. package/lib/peaks/util/determineRealTop.js +32 -32
  108. package/lib/peaks/util/determineRealTop.js.map +1 -1
  109. package/lib/peaks/util/getKernel.js +4 -4
  110. package/lib/peaks/util/getKernel.js.map +1 -1
  111. package/lib/peaks/util/peakOptimizer.js +17 -17
  112. package/lib/peaks/util/peakOptimizer.js.map +1 -1
  113. package/lib/peaks/util/setIDs.js.map +1 -1
  114. package/lib/prediction/dataStructure.d.ts +1 -3
  115. package/lib/prediction/predictAll.js +2 -1
  116. package/lib/prediction/predictAll.js.map +1 -1
  117. package/lib/prediction/predictCOSY.js +1 -1
  118. package/lib/prediction/predictCOSY.js.map +1 -1
  119. package/lib/prediction/predictCarbon.js +6 -6
  120. package/lib/prediction/predictCarbon.js.map +1 -1
  121. package/lib/prediction/predictHMBC.js +1 -1
  122. package/lib/prediction/predictHMBC.js.map +1 -1
  123. package/lib/prediction/predictHSQC.js +1 -1
  124. package/lib/prediction/predictHSQC.js.map +1 -1
  125. package/lib/prediction/predictProton.js +9 -9
  126. package/lib/prediction/predictProton.js.map +1 -1
  127. package/lib/prediction/utils/getFilteredIDiaIDs.js +3 -3
  128. package/lib/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  129. package/lib/prediction/utils/getNuclei.d.ts +1 -3
  130. package/lib/prediction/utils/getNuclei.js.map +1 -1
  131. package/lib/prediction/utils/predict2D.d.ts +1 -3
  132. package/lib/prediction/utils/predict2D.js +17 -17
  133. package/lib/prediction/utils/predict2D.js.map +1 -1
  134. package/lib/prediction/utils/queryByHOSE.js +1 -1
  135. package/lib/prediction/utils/queryByHOSE.js.map +1 -1
  136. package/lib/ranges/markSolventSignal.js +8 -8
  137. package/lib/ranges/markSolventSignal.js.map +1 -1
  138. package/lib/ranges/rangesToACS.js +6 -6
  139. package/lib/ranges/rangesToACS.js.map +1 -1
  140. package/lib/ranges/rangesToXY.js +6 -6
  141. package/lib/ranges/rangesToXY.js.map +1 -1
  142. package/lib/signal/signalJoinCouplings.js +9 -9
  143. package/lib/signal/signalJoinCouplings.js.map +1 -1
  144. package/lib/signal/signalMultiplicityPattern.js +2 -2
  145. package/lib/signal/signalMultiplicityPattern.js.map +1 -1
  146. package/lib/signals/addDummySignals.js +4 -4
  147. package/lib/signals/addDummySignals.js.map +1 -1
  148. package/lib/signals/hackSignalsToXY.js +1 -1
  149. package/lib/signals/hackSignalsToXY.js.map +1 -1
  150. package/lib/signals/optimization/getInternalSignals.js +6 -6
  151. package/lib/signals/optimization/getInternalSignals.js.map +1 -1
  152. package/lib/signals/optimization/getSumOfShapes.js +1 -1
  153. package/lib/signals/optimization/getSumOfShapes.js.map +1 -1
  154. package/lib/signals/optimizeSignals.js +3 -3
  155. package/lib/signals/optimizeSignals.js.map +1 -1
  156. package/lib/signals/signals2DToZ.js +3 -2
  157. package/lib/signals/signals2DToZ.js.map +1 -1
  158. package/lib/signals/signalsJoin.js +5 -5
  159. package/lib/signals/signalsJoin.js.map +1 -1
  160. package/lib/signals/signalsToFID.js +1 -1
  161. package/lib/signals/signalsToFID.js.map +1 -1
  162. package/lib/signals/signalsToRanges.js +3 -3
  163. package/lib/signals/signalsToRanges.js.map +1 -1
  164. package/lib/signals/signalsToXY.js +3 -3
  165. package/lib/signals/signalsToXY.js.map +1 -1
  166. package/lib/signals/simulation/signalsToSpinSystem.js +2 -2
  167. package/lib/signals/simulation/signalsToSpinSystem.js.map +1 -1
  168. package/lib/signals/simulation/simulate1D.js +2 -2
  169. package/lib/signals/simulation/simulate1D.js.map +1 -1
  170. package/lib/signals/simulation/simulateXYPeaks.js +15 -17
  171. package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
  172. package/lib/signals/simulation/splitSpinSystem.js +26 -23
  173. package/lib/signals/simulation/splitSpinSystem.js.map +1 -1
  174. package/lib/signals/utils/jAnalyzer.js +38 -38
  175. package/lib/signals/utils/jAnalyzer.js.map +1 -1
  176. package/lib/types/Integrals.d.ts +1 -1
  177. package/lib/types/Peaks/Peaks.d.ts +1 -1
  178. package/lib/types/Ranges/Ranges.d.ts +1 -1
  179. package/lib/types/Zones/Zone.d.ts +1 -1
  180. package/lib/types/Zones/Zones.d.ts +1 -1
  181. package/lib/utilities/getFrequency.js +1 -1
  182. package/lib/utilities/getFrequency.js.map +1 -1
  183. package/lib/utilities/resurrectRange.js +1 -1
  184. package/lib/utilities/resurrectRange.js.map +1 -1
  185. package/lib/xy/xyAutoPeaksPicking.js +3 -3
  186. package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
  187. package/lib/xyz/quadrature.js +1 -19
  188. package/lib/xyz/quadrature.js.map +1 -1
  189. package/lib/xyz/util/fft2d/digitalFilter.js +3 -3
  190. package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -1
  191. package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +1 -1
  192. package/lib/xyz/util/fft2d/fftDirectDimension.js +3 -11
  193. package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
  194. package/lib/xyz/util/fft2d/fftIndirectDimension.d.ts +2 -4
  195. package/lib/xyz/util/fft2d/fftIndirectDimension.js +104 -50
  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/util/phaseCorrection/applyOverImag.d.ts +24 -0
  209. package/lib/xyz/util/phaseCorrection/applyOverImag.js +27 -0
  210. package/lib/xyz/util/phaseCorrection/applyOverImag.js.map +1 -0
  211. package/lib/xyz/util/phaseCorrection/applyOverReal.d.ts +22 -0
  212. package/lib/xyz/util/phaseCorrection/applyOverReal.js +27 -0
  213. package/lib/xyz/util/phaseCorrection/applyOverReal.js.map +1 -0
  214. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.d.ts +3 -0
  215. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js +10 -0
  216. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js.map +1 -0
  217. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.d.ts +3 -0
  218. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js +10 -0
  219. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js.map +1 -0
  220. package/lib/xyz/util/phaseCorrection/getZMinMax.d.ts +6 -0
  221. package/lib/xyz/util/phaseCorrection/getZMinMax.js +13 -0
  222. package/lib/xyz/util/phaseCorrection/getZMinMax.js.map +1 -0
  223. package/lib/xyz/xyzAutoSignalsPicking.js +19 -18
  224. package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
  225. package/lib/xyz/xyzBidimensionalFFT.js +2 -19
  226. package/lib/xyz/xyzBidimensionalFFT.js.map +1 -1
  227. package/lib/xyz/xyzJResAnalyzer.js +21 -21
  228. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  229. package/lib/xyz/xyzPhaseCorrectionDirectDimension.d.ts +16 -0
  230. package/lib/xyz/xyzPhaseCorrectionDirectDimension.js +30 -0
  231. package/lib/xyz/xyzPhaseCorrectionDirectDimension.js.map +1 -0
  232. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.d.ts +25 -0
  233. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.js +32 -0
  234. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.js.map +1 -0
  235. package/lib-esm/apodization/compose.js +1 -1
  236. package/lib-esm/apodization/compose.js.map +1 -1
  237. package/lib-esm/assignment/get13CAssignments.js +3 -3
  238. package/lib-esm/assignment/get13CAssignments.js.map +1 -1
  239. package/lib-esm/assignment/get1HAssignments.js +3 -3
  240. package/lib-esm/assignment/get1HAssignments.js.map +1 -1
  241. package/lib-esm/assignment/getAssignments.js +5 -5
  242. package/lib-esm/assignment/getAssignments.js.map +1 -1
  243. package/lib-esm/assignment/utils/addSolution.js +25 -0
  244. package/lib-esm/assignment/utils/addSolution.js.map +1 -0
  245. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
  246. package/lib-esm/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
  247. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
  248. package/lib-esm/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
  249. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
  250. package/lib-esm/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
  251. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
  252. package/lib-esm/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
  253. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
  254. package/lib-esm/assignment/utils/generalAssignment/formatData.js.map +1 -0
  255. package/lib-esm/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  256. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
  257. package/lib-esm/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
  258. package/lib-esm/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
  259. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
  260. package/lib-esm/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  261. package/lib-esm/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
  262. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
  263. package/lib-esm/assignment/utils/generalAssignment/partialScore.js.map +1 -0
  264. package/lib-esm/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
  265. package/lib-esm/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
  266. package/lib-esm/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
  267. package/lib-esm/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
  268. package/lib-esm/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
  269. package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
  270. package/lib-esm/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
  271. package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
  272. package/lib-esm/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
  273. package/lib-esm/constants/SignalsKinds.js.map +1 -1
  274. package/lib-esm/constants/couplingValues.js.map +1 -1
  275. package/lib-esm/constants/degreeToRadians.js +2 -0
  276. package/lib-esm/constants/degreeToRadians.js.map +1 -0
  277. package/lib-esm/constants/impurities.js +2 -1
  278. package/lib-esm/constants/impurities.js.map +1 -1
  279. package/lib-esm/databases/getDatabase.js +1 -1
  280. package/lib-esm/databases/getDatabase.js.map +1 -1
  281. package/lib-esm/datum/Filters.js +4 -0
  282. package/lib-esm/datum/Filters.js.map +1 -1
  283. package/lib-esm/datum/FiltersManager.js +2 -2
  284. package/lib-esm/datum/FiltersManager.js.map +1 -1
  285. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +4 -4
  286. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  287. package/lib-esm/datum/data1d/filter1d/digitalFilter.js +2 -2
  288. package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  289. package/lib-esm/datum/data1d/filter1d/fft.js +7 -7
  290. package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
  291. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +3 -3
  292. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  293. package/lib-esm/datum/data1d/filter1d/signalProcessing.js +1 -1
  294. package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  295. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  296. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  297. package/lib-esm/datum/data1d/filter1d/zeroFilling.js +8 -8
  298. package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  299. package/lib-esm/datum/data1d/utils/mapPeaks.js +1 -1
  300. package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -1
  301. package/lib-esm/datum/data2d/filter2d/fftDimension1.js +63 -0
  302. package/lib-esm/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  303. package/lib-esm/datum/data2d/filter2d/fftDimension2.js +72 -0
  304. package/lib-esm/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  305. package/lib-esm/datum/data2d/utils/getShift.js +1 -1
  306. package/lib-esm/datum/data2d/utils/getShift.js.map +1 -1
  307. package/lib-esm/multiplicity/splitPatterns.js +1 -1
  308. package/lib-esm/multiplicity/splitPatterns.js.map +1 -1
  309. package/lib-esm/peaks/peaksFilterImpurities.js +7 -6
  310. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  311. package/lib-esm/peaks/peaksToRanges.js +17 -17
  312. package/lib-esm/peaks/peaksToRanges.js.map +1 -1
  313. package/lib-esm/peaks/solventSuppression.js +11 -11
  314. package/lib-esm/peaks/solventSuppression.js.map +1 -1
  315. package/lib-esm/peaks/util/addMissingIDs.js.map +1 -1
  316. package/lib-esm/peaks/util/determineRealTop.js +32 -32
  317. package/lib-esm/peaks/util/determineRealTop.js.map +1 -1
  318. package/lib-esm/peaks/util/getKernel.js +4 -4
  319. package/lib-esm/peaks/util/getKernel.js.map +1 -1
  320. package/lib-esm/peaks/util/peakOptimizer.js +17 -17
  321. package/lib-esm/peaks/util/peakOptimizer.js.map +1 -1
  322. package/lib-esm/peaks/util/setIDs.js.map +1 -1
  323. package/lib-esm/prediction/predictAll.js +2 -1
  324. package/lib-esm/prediction/predictAll.js.map +1 -1
  325. package/lib-esm/prediction/predictCOSY.js +1 -1
  326. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  327. package/lib-esm/prediction/predictCarbon.js +6 -6
  328. package/lib-esm/prediction/predictCarbon.js.map +1 -1
  329. package/lib-esm/prediction/predictHMBC.js +1 -1
  330. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  331. package/lib-esm/prediction/predictHSQC.js +1 -1
  332. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  333. package/lib-esm/prediction/predictProton.js +9 -9
  334. package/lib-esm/prediction/predictProton.js.map +1 -1
  335. package/lib-esm/prediction/utils/getFilteredIDiaIDs.js +3 -3
  336. package/lib-esm/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  337. package/lib-esm/prediction/utils/getNuclei.js.map +1 -1
  338. package/lib-esm/prediction/utils/predict2D.js +17 -17
  339. package/lib-esm/prediction/utils/predict2D.js.map +1 -1
  340. package/lib-esm/prediction/utils/queryByHOSE.js +1 -1
  341. package/lib-esm/prediction/utils/queryByHOSE.js.map +1 -1
  342. package/lib-esm/ranges/markSolventSignal.js +8 -8
  343. package/lib-esm/ranges/markSolventSignal.js.map +1 -1
  344. package/lib-esm/ranges/rangesToACS.js +6 -6
  345. package/lib-esm/ranges/rangesToACS.js.map +1 -1
  346. package/lib-esm/ranges/rangesToXY.js +6 -6
  347. package/lib-esm/ranges/rangesToXY.js.map +1 -1
  348. package/lib-esm/signal/signalJoinCouplings.js +9 -9
  349. package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
  350. package/lib-esm/signal/signalMultiplicityPattern.js +2 -2
  351. package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
  352. package/lib-esm/signals/addDummySignals.js +4 -4
  353. package/lib-esm/signals/addDummySignals.js.map +1 -1
  354. package/lib-esm/signals/hackSignalsToXY.js +1 -1
  355. package/lib-esm/signals/hackSignalsToXY.js.map +1 -1
  356. package/lib-esm/signals/optimization/getInternalSignals.js +6 -6
  357. package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
  358. package/lib-esm/signals/optimization/getSumOfShapes.js +1 -1
  359. package/lib-esm/signals/optimization/getSumOfShapes.js.map +1 -1
  360. package/lib-esm/signals/optimizeSignals.js +3 -3
  361. package/lib-esm/signals/optimizeSignals.js.map +1 -1
  362. package/lib-esm/signals/signals2DToZ.js +3 -2
  363. package/lib-esm/signals/signals2DToZ.js.map +1 -1
  364. package/lib-esm/signals/signalsJoin.js +5 -5
  365. package/lib-esm/signals/signalsJoin.js.map +1 -1
  366. package/lib-esm/signals/signalsToFID.js +1 -1
  367. package/lib-esm/signals/signalsToFID.js.map +1 -1
  368. package/lib-esm/signals/signalsToRanges.js +3 -3
  369. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  370. package/lib-esm/signals/signalsToXY.js +3 -3
  371. package/lib-esm/signals/signalsToXY.js.map +1 -1
  372. package/lib-esm/signals/simulation/signalsToSpinSystem.js +2 -2
  373. package/lib-esm/signals/simulation/signalsToSpinSystem.js.map +1 -1
  374. package/lib-esm/signals/simulation/simulate1D.js +2 -2
  375. package/lib-esm/signals/simulation/simulate1D.js.map +1 -1
  376. package/lib-esm/signals/simulation/simulateXYPeaks.js +15 -17
  377. package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
  378. package/lib-esm/signals/simulation/splitSpinSystem.js +26 -23
  379. package/lib-esm/signals/simulation/splitSpinSystem.js.map +1 -1
  380. package/lib-esm/signals/utils/jAnalyzer.js +38 -38
  381. package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
  382. package/lib-esm/utilities/getFrequency.js +1 -1
  383. package/lib-esm/utilities/getFrequency.js.map +1 -1
  384. package/lib-esm/utilities/resurrectRange.js +1 -1
  385. package/lib-esm/utilities/resurrectRange.js.map +1 -1
  386. package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
  387. package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
  388. package/lib-esm/xyz/quadrature.js +2 -20
  389. package/lib-esm/xyz/quadrature.js.map +1 -1
  390. package/lib-esm/xyz/util/fft2d/digitalFilter.js +3 -3
  391. package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -1
  392. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +4 -12
  393. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
  394. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +104 -50
  395. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
  396. package/lib-esm/xyz/util/fft2d/removeDCOffset.js +1 -1
  397. package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -1
  398. package/lib-esm/xyz/util/fft2d/zeroFilling.js +4 -6
  399. package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -1
  400. package/lib-esm/xyz/util/formatZone.js +3 -3
  401. package/lib-esm/xyz/util/formatZone.js.map +1 -1
  402. package/lib-esm/xyz/util/getMinMaxXY.js +19 -0
  403. package/lib-esm/xyz/util/getMinMaxXY.js.map +1 -0
  404. package/lib-esm/xyz/util/padData.js +7 -7
  405. package/lib-esm/xyz/util/padData.js.map +1 -1
  406. package/lib-esm/xyz/util/phaseCorrection/applyOverImag.js +20 -0
  407. package/lib-esm/xyz/util/phaseCorrection/applyOverImag.js.map +1 -0
  408. package/lib-esm/xyz/util/phaseCorrection/applyOverReal.js +20 -0
  409. package/lib-esm/xyz/util/phaseCorrection/applyOverReal.js.map +1 -0
  410. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js +6 -0
  411. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js.map +1 -0
  412. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js +6 -0
  413. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js.map +1 -0
  414. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js +9 -0
  415. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js.map +1 -0
  416. package/lib-esm/xyz/xyzAutoSignalsPicking.js +19 -18
  417. package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
  418. package/lib-esm/xyz/xyzBidimensionalFFT.js +1 -18
  419. package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -1
  420. package/lib-esm/xyz/xyzJResAnalyzer.js +21 -21
  421. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  422. package/lib-esm/xyz/xyzPhaseCorrectionDirectDimension.js +26 -0
  423. package/lib-esm/xyz/xyzPhaseCorrectionDirectDimension.js.map +1 -0
  424. package/lib-esm/xyz/xyzPhaseCorrectionIndirectDimension.js +28 -0
  425. package/lib-esm/xyz/xyzPhaseCorrectionIndirectDimension.js.map +1 -0
  426. package/package.json +4 -4
  427. package/src/apodization/compose.ts +1 -1
  428. package/src/assignment/get13CAssignments.ts +6 -3
  429. package/src/assignment/get1HAssignments.ts +7 -6
  430. package/src/assignment/getAssignments.ts +7 -7
  431. package/src/assignment/nmrAssigment.ts +2 -2
  432. package/src/assignment/utils/addSolution.ts +45 -0
  433. package/src/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.ts +29 -36
  434. package/src/assignment/utils/{getAssignment → generalAssignment}/checkIDs.ts +6 -6
  435. package/src/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.ts +10 -14
  436. package/src/assignment/utils/{getAssignment → generalAssignment}/exploreTree.ts +7 -8
  437. package/src/assignment/utils/{getAssignment → generalAssignment}/formatData.ts +5 -5
  438. package/src/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.ts +3 -5
  439. package/src/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.ts +2 -5
  440. package/src/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.ts +8 -8
  441. package/src/assignment/utils/{getAssignment → generalAssignment}/partialScore.ts +25 -29
  442. package/src/assignment/utils/{buildAssignments.ts → oneDimensionalAssignment/buildAssignments.ts} +6 -8
  443. package/src/assignment/utils/{createMapPossibleAssignments.ts → oneDimensionalAssignment/createMapPossibleAssignments.ts} +9 -9
  444. package/src/assignment/utils/{exploreTreeRec.ts → oneDimensionalAssignment/exploreTreeRec.ts} +8 -9
  445. package/src/assignment/utils/{partialScore.ts → oneDimensionalAssignment/partialScore.ts} +10 -12
  446. package/src/constants/SignalsKinds.ts +1 -1
  447. package/src/constants/couplingValues.ts +1 -1
  448. package/src/constants/degreeToRadians.ts +1 -0
  449. package/src/constants/impurities.ts +14 -15
  450. package/src/databases/getDatabase.ts +1 -1
  451. package/src/datum/Filters.ts +4 -0
  452. package/src/datum/FiltersManager.ts +3 -3
  453. package/src/datum/MatrixOptions.ts +1 -1
  454. package/src/datum/data1d/Entry1D.ts +1 -1
  455. package/src/datum/data1d/filter1d/baselineCorrection.ts +4 -4
  456. package/src/datum/data1d/filter1d/digitalFilter.ts +2 -2
  457. package/src/datum/data1d/filter1d/fft.ts +7 -7
  458. package/src/datum/data1d/filter1d/phaseCorrection.ts +3 -3
  459. package/src/datum/data1d/filter1d/signalProcessing.ts +1 -1
  460. package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +2 -2
  461. package/src/datum/data1d/filter1d/zeroFilling.ts +10 -9
  462. package/src/datum/data1d/utils/mapPeaks.ts +1 -1
  463. package/src/datum/data2d/Entry2D.ts +1 -1
  464. package/src/datum/data2d/filter2d/fftDimension1.ts +93 -0
  465. package/src/datum/data2d/filter2d/fftDimension2.ts +94 -0
  466. package/src/datum/data2d/utils/getShift.ts +1 -1
  467. package/src/ml-tree-set.d.ts +1 -1
  468. package/src/multiplicity/splitPatterns.ts +1 -1
  469. package/src/peaks/peaksFilterImpurities.ts +7 -6
  470. package/src/peaks/peaksToRanges.ts +19 -18
  471. package/src/peaks/solventSuppression.ts +11 -11
  472. package/src/peaks/util/addMissingIDs.ts +1 -1
  473. package/src/peaks/util/determineRealTop.ts +32 -32
  474. package/src/peaks/util/getKernel.ts +4 -4
  475. package/src/peaks/util/peakOptimizer.ts +17 -17
  476. package/src/peaks/util/setIDs.ts +6 -4
  477. package/src/prediction/dataStructure.ts +1 -3
  478. package/src/prediction/predictAll.ts +3 -2
  479. package/src/prediction/predictCOSY.ts +1 -1
  480. package/src/prediction/predictCarbon.ts +6 -6
  481. package/src/prediction/predictHMBC.ts +1 -1
  482. package/src/prediction/predictHSQC.ts +1 -1
  483. package/src/prediction/predictProton.ts +9 -9
  484. package/src/prediction/utils/getFilteredIDiaIDs.ts +3 -3
  485. package/src/prediction/utils/getNuclei.ts +2 -2
  486. package/src/prediction/utils/predict2D.ts +21 -25
  487. package/src/prediction/utils/queryByHOSE.ts +1 -1
  488. package/src/ranges/markSolventSignal.ts +8 -8
  489. package/src/ranges/rangesToACS.ts +6 -6
  490. package/src/ranges/rangesToXY.ts +6 -6
  491. package/src/signal/signalJoinCouplings.ts +9 -9
  492. package/src/signal/signalMultiplicityPattern.ts +2 -2
  493. package/src/signals/addDummySignals.ts +4 -4
  494. package/src/signals/hackSignalsToXY.ts +1 -1
  495. package/src/signals/optimization/getInternalSignals.ts +6 -6
  496. package/src/signals/optimization/getSumOfShapes.ts +1 -1
  497. package/src/signals/optimizeSignals.ts +3 -3
  498. package/src/signals/signals2DToZ.ts +4 -8
  499. package/src/signals/signalsJoin.ts +5 -5
  500. package/src/signals/signalsToFID.ts +1 -1
  501. package/src/signals/signalsToRanges.ts +3 -3
  502. package/src/signals/signalsToXY.ts +3 -3
  503. package/src/signals/simulation/signalsToSpinSystem.ts +3 -5
  504. package/src/signals/simulation/simulate1D.ts +2 -2
  505. package/src/signals/simulation/simulateXYPeaks.ts +16 -17
  506. package/src/signals/simulation/splitSpinSystem.ts +28 -25
  507. package/src/signals/utils/jAnalyzer.ts +38 -38
  508. package/src/types/Integrals.ts +1 -1
  509. package/src/types/Peaks/Peaks.ts +1 -1
  510. package/src/types/Ranges/Ranges.ts +1 -1
  511. package/src/types/Zones/Zone.ts +1 -1
  512. package/src/types/Zones/Zones.ts +1 -1
  513. package/src/utilities/getFrequency.ts +1 -1
  514. package/src/utilities/resurrectRange.ts +1 -1
  515. package/src/xy/xyAutoPeaksPicking.ts +3 -3
  516. package/src/xyz/quadrature.ts +2 -27
  517. package/src/xyz/util/fft2d/digitalFilter.ts +3 -3
  518. package/src/xyz/util/fft2d/fftDirectDimension.ts +4 -23
  519. package/src/xyz/util/fft2d/fftIndirectDimension.ts +123 -73
  520. package/src/xyz/util/fft2d/removeDCOffset.ts +1 -1
  521. package/src/xyz/util/fft2d/zeroFilling.ts +5 -6
  522. package/src/xyz/util/formatZone.ts +3 -3
  523. package/src/xyz/util/getMinMaxXY.ts +19 -0
  524. package/src/xyz/util/padData.ts +7 -7
  525. package/src/xyz/util/phaseCorrection/applyOverImag.ts +29 -0
  526. package/src/xyz/util/phaseCorrection/applyOverReal.ts +29 -0
  527. package/src/xyz/util/phaseCorrection/checkNmrData2DFourQuad.ts +12 -0
  528. package/src/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.ts +11 -0
  529. package/src/xyz/util/phaseCorrection/getZMinMax.ts +10 -0
  530. package/src/xyz/xyzAutoSignalsPicking.ts +20 -19
  531. package/src/xyz/xyzBidimensionalFFT.ts +1 -20
  532. package/src/xyz/xyzJResAnalyzer.ts +21 -21
  533. package/src/xyz/xyzPhaseCorrectionDirectDimension.ts +52 -0
  534. package/src/xyz/xyzPhaseCorrectionIndirectDimension.ts +45 -0
  535. package/lib/assignment/utils/buildAssignments.js.map +0 -1
  536. package/lib/assignment/utils/createMapPossibleAssignments.js.map +0 -1
  537. package/lib/assignment/utils/exploreTreeRec.js.map +0 -1
  538. package/lib/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
  539. package/lib/assignment/utils/getAssignment/checkIDs.js.map +0 -1
  540. package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
  541. package/lib/assignment/utils/getAssignment/exploreTree.js.map +0 -1
  542. package/lib/assignment/utils/getAssignment/formatData.js.map +0 -1
  543. package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
  544. package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
  545. package/lib/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
  546. package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
  547. package/lib/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
  548. package/lib/assignment/utils/getAssignment/partialScore.js.map +0 -1
  549. package/lib/assignment/utils/getAssignment/searchIndices.js.map +0 -1
  550. package/lib/assignment/utils/partialScore.js.map +0 -1
  551. package/lib-esm/assignment/utils/buildAssignments.js.map +0 -1
  552. package/lib-esm/assignment/utils/createMapPossibleAssignments.js.map +0 -1
  553. package/lib-esm/assignment/utils/exploreTreeRec.js.map +0 -1
  554. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
  555. package/lib-esm/assignment/utils/getAssignment/checkIDs.js.map +0 -1
  556. package/lib-esm/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
  557. package/lib-esm/assignment/utils/getAssignment/exploreTree.js.map +0 -1
  558. package/lib-esm/assignment/utils/getAssignment/formatData.js.map +0 -1
  559. package/lib-esm/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
  560. package/lib-esm/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
  561. package/lib-esm/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
  562. package/lib-esm/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
  563. package/lib-esm/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
  564. package/lib-esm/assignment/utils/getAssignment/partialScore.js.map +0 -1
  565. package/lib-esm/assignment/utils/getAssignment/searchIndices.js.map +0 -1
  566. package/lib-esm/assignment/utils/partialScore.js.map +0 -1
  567. /package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.d.ts +0 -0
  568. /package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.d.ts +0 -0
  569. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.d.ts +0 -0
  570. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
  571. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
  572. /package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.d.ts +0 -0
  573. /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.d.ts +0 -0
  574. /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
  575. /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.d.ts +0 -0
  576. /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
  577. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
  578. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
  579. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
  580. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
  581. /package/src/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.ts +0 -0
  582. /package/src/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.ts +0 -0
  583. /package/src/assignment/utils/{getAssignment → generalAssignment}/searchIndices.ts +0 -0
package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} RENAMED
@@ -2,9 +2,9 @@ export function partialScore(partial, options) {
2
2
  const { useIntegrationRestriction, diaIDPeerPossibleAssignment, nbAllowedUnAssigned, restrictionByCS, predictions, targets, } = options;
3
3
  const { useChemicalShiftScore } = restrictionByCS;
4
4
  let countStars = 0;
5
- let totalPartial = partial.length;
6
- let partialInverse = {};
7
- let activeDomainOnPrediction = [];
5
+ const totalPartial = partial.length;
6
+ const partialInverse = {};
7
+ const activeDomainOnPrediction = [];
8
8
  for (let i = 0; i < partial.length; i++) {
9
9
  const targetID = partial[i];
10
10
  if (targetID && targetID !== '*') {
@@ -24,8 +24,8 @@ export function partialScore(partial, options) {
24
24
  return 0;
25
25
  }
26
26
  if (useIntegrationRestriction) {
27
- for (let targetID of activeDomainOnTarget) {
28
- let targetToSource = partialInverse[targetID];
27
+ for (const targetID of activeDomainOnTarget) {
28
+ const targetToSource = partialInverse[targetID];
29
29
  let total = 0;
30
30
  for (const diaID of targetToSource) {
31
31
  const prediction = predictions[diaID];
@@ -38,7 +38,7 @@ export function partialScore(partial, options) {
38
38
  }
39
39
  }
40
40
  //chemical shift score
41
- let chemicalShiftScore = useChemicalShiftScore
41
+ const chemicalShiftScore = useChemicalShiftScore
42
42
  ? chemicalShiftScoring(partial, options)
43
43
  : 1;
44
44
  const penaltyByStarts = countStars / totalPartial;
@@ -53,9 +53,9 @@ function chemicalShiftScoring(partial, options) {
53
53
  const targetID = partial[index];
54
54
  if (targetID && targetID !== '*') {
55
55
  count++;
56
- let diaID = diaIDPeerPossibleAssignment[index];
57
- let source = predictions[diaID];
58
- let target = targets[targetID];
56
+ const diaID = diaIDPeerPossibleAssignment[index];
57
+ const source = predictions[diaID];
58
+ const target = targets[targetID];
59
59
  let error = tolerance;
60
60
  if (source.error) {
61
61
  error = Math.max(source.error, tolerance);
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package/lib-esm/constants/SignalsKinds.js.map CHANGED
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package/lib-esm/constants/couplingValues.js.map CHANGED
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"couplingValues.js","sourceRoot":"","sources":["../../src/constants/couplingValues.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,wBAAwB,CAAC;AAE9D,MAAM,MAAM,GAA2B,EAAE,CAAC;AAC1C,KAAK,MAAM,EAAE,KAAK,EAAE,YAAY,EAAE,KAAK,EAAE,IAAI,oBAAoB,EAAE;IACjE,IAAI,YAAY;QAAE,MAAM,CAAC,KAAK,CAAC,GAAG,YAAY,GAAG,CAAC,CAAC;IACnD,KAAK,MAAM,IAAI,IAAI,KAAK,EAAE;QACxB,IAAI,YAAY;YAAE,MAAM,CAAC,IAAI,CAAC,GAAG,YAAY,GAAG,CAAC,CAAC;KACnD;CACF;AACD,MAAM,CAAC,MAAM,cAAc,GAAG,MAAM,CAAC"}
package/lib-esm/constants/degreeToRadians.js ADDED
@@ -0,0 +1,2 @@
1
+ export const degreeToRadians = Math.PI / 180;
2
+ //# sourceMappingURL=degreeToRadians.js.map
package/lib-esm/constants/degreeToRadians.js.map ADDED
@@ -0,0 +1 @@
1
+ {"version":3,"file":"degreeToRadians.js","sourceRoot":"","sources":["../../src/constants/degreeToRadians.ts"],"names":[],"mappings":"AAAA,MAAM,CAAC,MAAM,eAAe,GAAG,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC"}
package/lib-esm/constants/impurities.js CHANGED
@@ -1,5 +1,5 @@
1
1
  /* eslint-disable camelcase */
2
- export const impurities = {
2
+ const impuritiesContent = {
3
3
  cdcl3: {
4
4
  tms: [
5
5
  {
@@ -3130,4 +3130,5 @@ export const impurities = {
3130
3130
  ],
3131
3131
  },
3132
3132
  };
3133
+ export const impurities = impuritiesContent;
3133
3134
  //# sourceMappingURL=impurities.js.map
package/lib-esm/constants/impurities.js.map CHANGED
@@ -1 +1 @@
1
- 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package/lib-esm/databases/getDatabase.js CHANGED
@@ -18,7 +18,7 @@ export async function getDatabase(url = 'https://docs.google.com/spreadsheets/d/
18
18
  throw new Error('unknown database format');
19
19
  }
20
20
  const results = [];
21
- for (let line of parsed.data) {
21
+ for (const line of parsed.data) {
22
22
  const result = {
23
23
  smiles: '',
24
24
  solvent: '',
package/lib-esm/databases/getDatabase.js.map CHANGED
@@ -1 +1 @@
1
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package/lib-esm/datum/Filters.js CHANGED
@@ -10,6 +10,8 @@ import * as signalProcessing from './data1d/filter1d/signalProcessing';
10
10
  import * as zeroFilling from './data1d/filter1d/zeroFilling';
11
11
  import * as shift2DX from './data2d/filter2d/shiftX';
12
12
  import * as shift2DY from './data2d/filter2d/shiftY';
13
+ import * as fftDimension1 from './data2d/filter2d/fftDimension1';
14
+ import * as fftDimension2 from './data2d/filter2d/fftDimension2';
13
15
  export { apodizationFilter } from './data1d/filter1d/apodization/apodizationFilter';
14
16
  export const Filters = {
15
17
  apodization,
@@ -19,6 +21,8 @@ export const Filters = {
19
21
  digitalFilter,
20
22
  equallySpaced,
21
23
  fft,
24
+ fftDimension1,
25
+ fftDimension2,
22
26
  phaseCorrection,
23
27
  shiftX,
24
28
  zeroFilling,
package/lib-esm/datum/Filters.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,WAAW,MAAM,2CAA2C,CAAC;AACzE,OAAO,KAAK,kBAAkB,MAAM,sCAAsC,CAAC;AAC3E,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,cAAc,MAAM,kCAAkC,CAAC;AACnE,OAAO,KAAK,GAAG,MAAM,uBAAuB,CAAC;AAC7C,OAAO,KAAK,eAAe,MAAM,mCAAmC,CAAC;AACrE,OAAO,KAAK,MAAM,MAAM,0BAA0B,CAAC;AACnD,OAAO,KAAK,gBAAgB,MAAM,oCAAoC,CAAC;AACvE,OAAO,KAAK,WAAW,MAAM,+BAA+B,CAAC;AAC7D,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AAgBrD,OAAO,EAAE,iBAAiB,EAAE,MAAM,iDAAiD,CAAC;AAEpF,MAAM,CAAC,MAAM,OAAO,GAUhB;IACF,WAAW;IACX,cAAc;IACd,gBAAgB;IAChB,kBAAkB;IAClB,aAAa;IACb,aAAa;IACb,GAAG;IACH,eAAe;IACf,MAAM;IACN,WAAW;IACX,QAAQ;IACR,QAAQ;CACT,CAAC"}
1
+ {"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,WAAW,MAAM,2CAA2C,CAAC;AACzE,OAAO,KAAK,kBAAkB,MAAM,sCAAsC,CAAC;AAC3E,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,cAAc,MAAM,kCAAkC,CAAC;AACnE,OAAO,KAAK,GAAG,MAAM,uBAAuB,CAAC;AAC7C,OAAO,KAAK,eAAe,MAAM,mCAAmC,CAAC;AACrE,OAAO,KAAK,MAAM,MAAM,0BAA0B,CAAC;AACnD,OAAO,KAAK,gBAAgB,MAAM,oCAAoC,CAAC;AACvE,OAAO,KAAK,WAAW,MAAM,+BAA+B,CAAC;AAC7D,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,QAAQ,MAAM,0BAA0B,CAAC;AACrD,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AACjE,OAAO,KAAK,aAAa,MAAM,iCAAiC,CAAC;AAgBjE,OAAO,EAAE,iBAAiB,EAAE,MAAM,iDAAiD,CAAC;AAEpF,MAAM,CAAC,MAAM,OAAO,GAUhB;IACF,WAAW;IACX,cAAc;IACd,gBAAgB;IAChB,kBAAkB;IAClB,aAAa;IACb,aAAa;IACb,GAAG;IACH,aAAa;IACb,aAAa;IACb,eAAe;IACf,MAAM;IACN,WAAW;IACX,QAAQ;IACR,QAAQ;CACT,CAAC"}
package/lib-esm/datum/FiltersManager.js CHANGED
@@ -33,7 +33,7 @@ function updateData(datum) {
33
33
  export function applyFilter(datum, filters = [], options = {}) {
34
34
  const { forceReapply = false, filterIndex } = options;
35
35
  let isReduced = false;
36
- for (let filter of filters) {
36
+ for (const filter of filters) {
37
37
  const filterOption = {
38
38
  name: filter.name,
39
39
  label: Filters[filter.name].name,
@@ -71,7 +71,7 @@ export function applyFilter(datum, filters = [], options = {}) {
71
71
  }
72
72
  }
73
73
  else {
74
- for (let filter of filters) {
74
+ for (const filter of filters) {
75
75
  Filters[filter.name].apply(datum, filter.value);
76
76
  }
77
77
  }
package/lib-esm/datum/FiltersManager.js.map CHANGED
@@ -1 +1 @@
1
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package/lib-esm/datum/data1d/filter1d/baselineCorrection.js CHANGED
@@ -12,7 +12,7 @@ export function apply(datum1D, options) {
12
12
  throw new Error('baselineCorrection not applicable on this data');
13
13
  }
14
14
  const { algorithm } = options;
15
- let { x, re } = datum1D.data;
15
+ const { x, re } = datum1D.data;
16
16
  let corrected;
17
17
  switch (algorithm) {
18
18
  case 'airpls':
@@ -21,11 +21,11 @@ export function apply(datum1D, options) {
21
21
  case 'polynomial':
22
22
  {
23
23
  const { degree, zones } = options;
24
- let reduced = xyEquallySpaced({ x, y: re }, { numberOfPoints: 4096, zones });
25
- let result = baselineRegression(reduced.x, reduced.y, {
24
+ const reduced = xyEquallySpaced({ x, y: re }, { numberOfPoints: 4096, zones });
25
+ const result = baselineRegression(reduced.x, reduced.y, {
26
26
  regressionOptions: degree,
27
27
  });
28
- let { regression } = result;
28
+ const { regression } = result;
29
29
  corrected = new Float64Array(x.length);
30
30
  for (let i = 0; i < re.length; i++) {
31
31
  corrected[i] = re[i] - regression.predict(x[i]);
package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map CHANGED
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":"AAAA,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,kBAAkB,MAAM,mCAAmC,CAAC;AACnE,OAAO,EAAE,eAAe,EAAE,MAAM,uBAAuB,CAAC;AAKxD,MAAM,CAAC,MAAM,EAAE,GAAG,oBAAoB,CAAC;AACvC,MAAM,CAAC,MAAM,IAAI,GAAG,qBAAqB,CAAC;AAC1C,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAyBF,MAAM,UAAU,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAE/B,IAAI,SAAS,CAAC;IACd,QAAQ,SAAS,EAAE;QACjB,KAAK,QAAQ;YACX,SAAS,GAAG,MAAM,CAAC,CAAC,EAAE,EAAE,EAAE,OAAO,CAAC,CAAC,SAAS,CAAC;YAC7C,MAAM;QACR,KAAK,YAAY;YACf;gBACE,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;gBAClC,MAAM,OAAO,GAAG,eAAe,CAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,cAAc,EAAE,IAAI,EAAE,KAAK,EAAE,CAChC,CAAC;gBACF,MAAM,MAAM,GAAG,kBAAkB,CAAC,OAAO,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE;oBACtD,iBAAiB,EAAE,MAAM;iBAC1B,CAAC,CAAC;gBACH,MAAM,EAAE,UAAU,EAAE,GAAG,MAAM,CAAC;gBAC9B,SAAS,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;gBACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAClC,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;iBACjD;aACF;YAED,MAAM;QACR;YACE,4EAA4E;YAC5E,MAAM,IAAI,KAAK,CAAC,0CAA0C,SAAS,EAAE,CAAC,CAAC;KAC1E;IAED,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;AACjD,CAAC;AAED,MAAM,UAAU,YAAY,CAAC,OAAgB;IAC3C,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACrC,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC"}
package/lib-esm/datum/data1d/filter1d/digitalFilter.js CHANGED
@@ -20,8 +20,8 @@ export function apply(spectrum, options = {}) {
20
20
  filter.value = { digitalFilterValue };
21
21
  }
22
22
  }
23
- let re = new Float64Array(spectrum.data.re);
24
- let im = new Float64Array(spectrum.data.im);
23
+ const re = new Float64Array(spectrum.data.re);
24
+ const im = new Float64Array(spectrum.data.im);
25
25
  let pointsToShift = Math.floor(digitalFilterValue);
26
26
  const skip = 0;
27
27
  pointsToShift += 0;
package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,MAAM,EAAE,GAAG,eAAe,CAAC;AAClC,MAAM,CAAC,MAAM,IAAI,GAAG,gBAAgB,CAAC;AACrC,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,MAAM,UAAU,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,EAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC5C,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE5C,IAAI,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAEnD,MAAM,IAAI,GAAG,CAAC,CAAC;IACf,aAAa,IAAI,CAAC,CAAC;IAEnB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IACpE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IAEpE,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;IACzB,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;AAC3B,CAAC;AAED,MAAM,UAAU,YAAY,CAC1B,OAA6B;IAE7B,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC"}
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+ {"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":"AAMA,MAAM,CAAC,MAAM,EAAE,GAAG,eAAe,CAAC;AAClC,MAAM,CAAC,MAAM,IAAI,GAAG,gBAAgB,CAAC;AACrC,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,MAAM,UAAU,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,EAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC9C,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE9C,IAAI,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAEnD,MAAM,IAAI,GAAG,CAAC,CAAC;IACf,aAAa,IAAI,CAAC,CAAC;IAEnB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IACpE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IAEpE,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;IACzB,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;AAC3B,CAAC;AAED,MAAM,UAAU,YAAY,CAC1B,OAA6B;IAE7B,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC"}
package/lib-esm/datum/data1d/filter1d/fft.js CHANGED
@@ -11,7 +11,7 @@ export function apply(datum1D) {
11
11
  throw new Error('fft not applicable on this data');
12
12
  }
13
13
  checkSameLength(datum1D);
14
- let digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
14
+ const digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
15
15
  const { info: { aqMod }, } = datum1D;
16
16
  if (aqMod === 1) {
17
17
  removeDCOffset(datum1D, digitalFilterApplied);
@@ -25,8 +25,8 @@ export function apply(datum1D) {
25
25
  im: data.im,
26
26
  }, { applyZeroShift: true }));
27
27
  if (digitalFilterApplied) {
28
- let { digitalFilter = 0 } = info;
29
- let ph1 = (digitalFilter - Math.floor(digitalFilter)) * Math.PI * 2;
28
+ const { digitalFilter = 0 } = info;
29
+ const ph1 = (digitalFilter - Math.floor(digitalFilter)) * Math.PI * 2;
30
30
  Object.assign(data, reimPhaseCorrection(data, 0, -ph1, { reverse: true }));
31
31
  }
32
32
  datum1D.data.x = generateXAxis(datum1D);
@@ -49,10 +49,10 @@ function generateXAxis(datum1D) {
49
49
  const frequencyOffset = Number(info.frequencyOffset);
50
50
  const spectralWidth = Number(info.spectralWidth);
51
51
  const offset = frequencyOffset / baseFrequency;
52
- let spectralHalfWidth = 0.5 * spectralWidth;
53
- let nbPoints = datum1D.data.x.length;
52
+ const spectralHalfWidth = 0.5 * spectralWidth;
53
+ const nbPoints = datum1D.data.x.length;
54
54
  let firstPoint = offset - spectralHalfWidth;
55
- let dx = spectralWidth / (nbPoints - 1);
55
+ const dx = spectralWidth / (nbPoints - 1);
56
56
  const xAxis = new Float64Array(nbPoints);
57
57
  for (let i = 0; i < nbPoints; i++) {
58
58
  xAxis[i] = firstPoint;
@@ -64,7 +64,7 @@ function isPowerOfTwo(n) {
64
64
  return n !== 0 && (n & (n - 1)) === 0;
65
65
  }
66
66
  function removeDCOffset(spectrum, digitalFilterApplied) {
67
- let { digitalFilter = 0 } = digitalFilterApplied && spectrum.info ? spectrum.info : {};
67
+ const { digitalFilter = 0 } = digitalFilterApplied && spectrum.info ? spectrum.info : {};
68
68
  const data = spectrum.data;
69
69
  const nbPoints = data.re.length;
70
70
  const newRe = new Float64Array(data.re);
package/lib-esm/datum/data1d/filter1d/fft.js.map CHANGED
@@ -1 +1 @@
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+ {"version":3,"file":"fft.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/fft.ts"],"names":[],"mappings":"AACA,OAAO,EAEL,OAAO,EACP,mBAAmB,EACnB,KAAK,GACN,MAAM,uBAAuB,CAAC;AAM/B,OAAO,EAAE,uBAAuB,EAAE,MAAM,iCAAiC,CAAC;AAE1E,MAAM,CAAC,MAAM,EAAE,GAAG,KAAK,CAAC;AACxB,MAAM,CAAC,MAAM,IAAI,GAAG,KAAK,CAAC;AAC1B,MAAM,CAAC,MAAM,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF,MAAM,UAAU,KAAK,CAAC,OAAkB;IACtC,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACpD;IAED,eAAe,CAAC,OAAO,CAAC,CAAC;IAEzB,MAAM,oBAAoB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAC/C,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,eAAe,IAAI,CAAC,CAAC,IAAI,CAC5C,CAAC;IAEF,MAAM,EACJ,IAAI,EAAE,EAAE,KAAK,EAAE,GAChB,GAAG,OAAO,CAAC;IAEZ,IAAI,KAAK,KAAK,CAAC,EAAE;QACf,cAAc,CAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KAC/C;IAED,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;QACxC,uBAAuB,CAAC,OAAO,EAAE,oBAAoB,CAAC,CAAC;KACxD;IAED,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,OAAO,CAAC;IAC/B,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,OAAO,CACL;QACE,EAAE,EAAE,IAAI,CAAC,EAAE;QACX,EAAE,EAAE,IAAI,CAAC,EAAE;KACZ,EACD,EAAE,cAAc,EAAE,IAAI,EAAE,CACzB,CACF,CAAC;IAEF,IAAI,oBAAoB,EAAE;QACxB,MAAM,EAAE,aAAa,GAAG,CAAC,EAAE,GAAG,IAAI,CAAC;QACnC,MAAM,GAAG,GAAG,CAAC,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;QACtE,MAAM,CAAC,MAAM,CACX,IAAI,EACJ,mBAAmB,CAAC,IAAgB,EAAE,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,OAAO,EAAE,IAAI,EAAE,CAAC,CAClE,CAAC;KACH;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,GAAG,aAAa,CAAC,OAAO,CAAC,CAAC;IACxC,OAAO,CAAC,IAAI,GAAG,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;AAC/D,CAAC;AAED,MAAM,UAAU,YAAY,CAC1B,OAAkB;IAElB,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AAED,MAAM,UAAU,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC;AAED,SAAS,aAAa,CAAC,OAAkB;IACvC,MAAM,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC;IAC1B,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,eAAe,GAAG,MAAM,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;IACrD,MAAM,aAAa,GAAG,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;IACjD,MAAM,MAAM,GAAG,eAAe,GAAG,aAAa,CAAC;IAC/C,MAAM,iBAAiB,GAAG,GAAG,GAAG,aAAa,CAAC;IAC9C,MAAM,QAAQ,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,UAAU,GAAG,MAAM,GAAG,iBAAiB,CAAC;IAC5C,MAAM,EAAE,GAAG,aAAa,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;QACjC,KAAK,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC;QACtB,UAAU,IAAI,EAAE,CAAC;KAClB;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,CAAS;IAC7B,OAAO,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,cAAc,CACrB,QAA4D,EAC5D,oBAA6B;IAE7B,MAAM,EAAE,aAAa,GAAG,CAAC,EAAE,GACzB,oBAAoB,IAAI,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC;IAC7D,MAAM,IAAI,GAAG,QAAQ,CAAC,IAAI,CAAC;IAC3B,MAAM,QAAQ,GAAG,IAAI,CAAC,EAAE,CAAC,MAAM,CAAC;IAChC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,SAAS,GAAG,KAAK,CACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAChE,CAAC;IACF,MAAM,SAAS,GAAG,KAAK,CACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAChE,CAAC;IACF,KACE,IAAI,CAAC,GAAG,oBAAoB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,aAAa,EAChD,CAAC,GAAG,QAAQ,GAAG,aAAa,EAC5B,CAAC,EAAE,EACH;QACA,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;QACtB,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;KACvB;IAED,MAAM,CAAC,MAAM,CAAC,QAAQ,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC;IACvD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,SAAS,eAAe,CAAC,QAAuC;IAC9D,MAAM,EAAE,IAAI,EAAE,GAAG,QAAQ,CAAC;IAC1B,IAAI,IAAI,CAAC,CAAC,CAAC,MAAM,KAAK,IAAI,CAAC,EAAE,CAAC,MAAM,IAAI,IAAI,CAAC,CAAC,CAAC,MAAM,KAAK,IAAI,CAAC,EAAE,CAAC,MAAM,EAAE;QACxE,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;KACvD;AACH,CAAC"}
package/lib-esm/datum/data1d/filter1d/phaseCorrection.js CHANGED
@@ -27,14 +27,14 @@ export function apply(datum1D, options = {}) {
27
27
  }
28
28
  }
29
29
  else if ('ph0' in options && 'ph1' in options) {
30
- let { ph0, ph1 } = options;
30
+ const { ph0, ph1 } = options;
31
31
  phaseCorrection(datum1D, { ph0, ph1 });
32
32
  if (filter) {
33
33
  filter.value = { ...filter.value, absolute };
34
34
  }
35
35
  }
36
36
  else {
37
- let { ph0, ph1 } = autoPhaseCorrection(datum1D);
37
+ const { ph0, ph1 } = autoPhaseCorrection(datum1D);
38
38
  phaseCorrection(datum1D, { ph0, ph1 });
39
39
  if (filter) {
40
40
  filter.value = { ...filter.value, absolute, ph0, ph1 };
@@ -42,7 +42,7 @@ export function apply(datum1D, options = {}) {
42
42
  }
43
43
  }
44
44
  function phaseCorrection(spectrum, phaseValues) {
45
- let { ph0, ph1 } = phaseValues;
45
+ const { ph0, ph1 } = phaseValues;
46
46
  const { re, im } = spectrum.data;
47
47
  const phased = reimPhaseCorrection({ re, im }, (ph0 * Math.PI) / 180, (ph1 * Math.PI) / 180, { reverse: true });
48
48
  spectrum.data = {
package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map CHANGED
@@ -1 +1 @@
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package/lib-esm/datum/data1d/filter1d/signalProcessing.js CHANGED
@@ -24,7 +24,7 @@ export function reduce(previousValue, newValue) {
24
24
  }
25
25
  export function filterXY(spectrum, options) {
26
26
  let x = spectrum.data.x.slice(0);
27
- let cloneX = spectrum.data.x.slice(0);
27
+ const cloneX = spectrum.data.x.slice(0);
28
28
  let re = spectrum.data.re.slice(0);
29
29
  let im = spectrum.data.im?.slice(0);
30
30
  const filters = options.filters.slice();