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
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  337. package/lib-esm/prediction/utils/getNuclei.js.map +1 -1
  338. package/lib-esm/prediction/utils/predict2D.js +17 -17
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  348. package/lib-esm/signal/signalJoinCouplings.js +9 -9
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  366. package/lib-esm/signals/signalsToFID.js +1 -1
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  370. package/lib-esm/signals/signalsToXY.js +3 -3
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  376. package/lib-esm/signals/simulation/simulateXYPeaks.js +15 -17
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  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
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  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
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  414. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js +9 -0
  415. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js.map +1 -0
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  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
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  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
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  549. package/lib/assignment/utils/getAssignment/searchIndices.js.map +0 -1
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  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
@@ -1,64 +1,118 @@
1
1
  import Matrix from 'ml-matrix';
2
- import { reimAbsolute, reimAutoPhaseCorrection, reimFFT, reimPhaseCorrection, } from 'ml-spectra-processing';
2
+ import { reimAbsolute, reimFFT, reimPhaseCorrection, xMultiply, } from 'ml-spectra-processing';
3
3
  import { apodization, } from '../../../apodization/apodization';
4
4
  import { zeroFilling } from './zeroFilling';
5
5
  export function fftIndirectDimension(data, options) {
6
- const reData = Matrix.checkMatrix(data.re);
7
- const imData = Matrix.checkMatrix(data.im);
8
- const nbRows = reData.rows;
9
- const nbColumns = reData.columns;
10
- const { zeroFilling: zeroFillingF1 } = options;
6
+ const newData = {
7
+ re: Matrix.checkMatrix(data.re),
8
+ im: Matrix.checkMatrix(data.im),
9
+ };
10
+ const nbRows = newData.re.rows;
11
+ const nbColumns = newData.re.columns;
12
+ const { zeroFilling: zeroFillingF1, reverse } = options;
11
13
  const { factor: f1Factor = 2 } = zeroFillingF1 || {};
12
- const nbPointsF1 = zeroFillingF1?.nbPoints || 2 ** Math.round(Math.log2(nbRows * f1Factor));
13
- const { apodization: apodizationF1 } = options;
14
- let { ph0: ph0F1, ph1: ph1F1, mode: pcModeF1, } = options.phaseCorrection || {};
15
- const reResult = new Matrix(nbPointsF1, nbColumns);
16
- const imResult = new Matrix(nbPointsF1, nbColumns);
17
- for (let i = 0; i < nbColumns; i++) {
18
- const { re: aRe, im: aIm } = apodization({
19
- re: reData.getColumn(i),
20
- im: imData.getColumn(i),
21
- }, apodizationF1);
22
- const newRe = [];
23
- const newIm = [];
24
- if (options.fnMode === 'echo') {
25
- for (let j = 0; j < aRe.length; j += 2) {
26
- newRe.push(aRe[j]);
27
- newIm.push(aRe[j + 1]);
28
- }
14
+ const nbPoints = zeroFillingF1?.nbPoints || 2 ** Math.round(Math.log2(nbRows * f1Factor));
15
+ const { fnMode } = options;
16
+ const newOptions = {
17
+ ...options,
18
+ zeroFilling: { ...zeroFillingF1, nbPoints },
19
+ };
20
+ const quadrants = {};
21
+ if (fnMode === 'QF') {
22
+ const reResult = new Matrix(nbPoints, nbColumns);
23
+ const imResult = new Matrix(nbPoints, nbColumns);
24
+ for (let i = 0; i < nbColumns; i++) {
25
+ const data = {
26
+ re: newData.re.getColumn(i),
27
+ im: reverse
28
+ ? newData.im.getColumn(i)
29
+ : xMultiply(newData.im.getColumn(i), -1),
30
+ };
31
+ const { re, im } = applyFFT(data, newOptions);
32
+ reResult.setColumn(i, re);
33
+ imResult.setColumn(i, im);
29
34
  }
30
- else {
31
- for (let j = 0; j < aRe.length; j++) {
32
- newRe.push(aRe[j]);
33
- newIm.push(-aIm[j]);
35
+ quadrants.rr = reResult;
36
+ quadrants.ir = imResult;
37
+ }
38
+ else {
39
+ // four quadrant processing
40
+ for (const current in newData) {
41
+ const reResult = new Matrix(nbPoints, nbColumns);
42
+ const imResult = new Matrix(nbPoints, nbColumns);
43
+ for (let i = 0; i < nbColumns; i++) {
44
+ const data = getColumnFrom(newData[current], { fnMode, index: i });
45
+ const { re, im } = applyFFT(data, newOptions);
46
+ reResult.setColumn(i, re);
47
+ imResult.setColumn(i, im);
48
+ }
49
+ if (current === 're') {
50
+ quadrants.rr = reResult;
51
+ quadrants.ir = imResult;
52
+ }
53
+ else {
54
+ quadrants.ri = reResult;
55
+ quadrants.ii = imResult;
34
56
  }
35
57
  }
36
- let transformed = reimFFT(zeroFilling({
37
- re: newRe,
38
- im: newIm,
39
- }, { digitalFilterValue: 0, nbPoints: nbPointsF1 }), { applyZeroShift: true });
40
- let { re, im } = transformed;
41
- if (options.phaseCorrection?.mode === 'mc') {
42
- re = reimAbsolute({ re, im });
43
- im = new Float64Array(im.length);
44
- }
45
- if (pcModeF1 === 'pk') {
46
- if (i === 0 && ph0F1 === undefined && ph1F1 === undefined) {
47
- //here we can improve it by checking if the experiment is phase sensitive.
48
- const phased = reimAutoPhaseCorrection({ re, im }, { magnitudeMode: false });
49
- ph0F1 = phased.ph0;
50
- ph1F1 = phased.ph1;
58
+ }
59
+ return quadrants;
60
+ }
61
+ function applyFFT(data, options) {
62
+ const { fnMode, apodization: apodizationF1, zeroFilling: zeroFillingF1 = {}, phaseCorrection = {}, } = options;
63
+ const { re, im } = apodization(data, apodizationF1);
64
+ const { nbPoints = 0 } = zeroFillingF1;
65
+ const transformed = reimFFT(zeroFilling({ re, im }, { nbPoints }), {
66
+ applyZeroShift: !['SEQ', 'TPPI'].some((k) => fnMode === k),
67
+ });
68
+ if (options.phaseCorrection?.mode === 'mc') {
69
+ Object.assign(transformed, {
70
+ re: reimAbsolute(transformed),
71
+ im: new Float64Array(nbPoints),
72
+ });
73
+ }
74
+ const { mode: pcModeF1, ph0: ph0F1, ph1: ph1F1 } = phaseCorrection;
75
+ if (pcModeF1 === 'pk' && ph0F1 !== undefined && ph1F1 !== undefined) {
76
+ Object.assign(transformed, reimPhaseCorrection(transformed, (ph0F1 * Math.PI) / 180, (ph1F1 * Math.PI) / 180));
77
+ }
78
+ return transformed;
79
+ }
80
+ function getColumnFrom(data, info) {
81
+ const { fnMode, index } = info;
82
+ const reverse = info.reverse || fnMode === 'QF';
83
+ const nbPoints = data.rows / 2;
84
+ const re = new Float64Array(nbPoints);
85
+ const im = new Float64Array(nbPoints);
86
+ switch (fnMode?.toLocaleLowerCase()) {
87
+ // case 'states':
88
+ // case 'echo-antiecho':
89
+ case 'seq':
90
+ case 'tppi':
91
+ return {
92
+ re: data.getColumn(index),
93
+ im: new Float64Array(data.rows),
94
+ };
95
+ default:
96
+ if (reverse) {
97
+ for (let i = 0; i < nbPoints; i++) {
98
+ re[i] = data.get(2 * i, index);
99
+ im[i] = -data.get(2 * i + 1, index);
100
+ }
51
101
  }
52
- if (ph0F1 !== undefined && ph1F1 !== undefined) {
53
- Object.assign(transformed, reimPhaseCorrection(transformed, (ph0F1 * Math.PI) / 180, (ph1F1 * Math.PI) / 180));
102
+ else {
103
+ for (let i = 0; i < nbPoints; i++) {
104
+ re[i] = data.get(2 * i, index);
105
+ im[i] = data.get(2 * i + 1, index);
106
+ }
54
107
  }
108
+ }
109
+ if (fnMode === 'states-ttpi') {
110
+ //it is to convert to the equivalent of states
111
+ for (let i = 0; i < nbPoints; i += 2) {
112
+ re[i] *= -1;
113
+ im[i] *= -1;
55
114
  }
56
- reResult.setColumn(i, re);
57
- imResult.setColumn(i, im);
58
115
  }
59
- return {
60
- re: reResult,
61
- im: imResult,
62
- };
116
+ return { re, im };
63
117
  }
64
118
  //# sourceMappingURL=fftIndirectDimension.js.map
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+ {"version":3,"file":"fftIndirectDimension.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/fftIndirectDimension.ts"],"names":[],"mappings":"AACA,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,EAEL,YAAY,EACZ,OAAO,EACP,mBAAmB,EACnB,SAAS,GACV,MAAM,uBAAuB,CAAC;AAE/B,OAAO,EACL,WAAW,GAEZ,MAAM,kCAAkC,CAAC;AAE1C,OAAO,EAAE,WAAW,EAAsB,MAAM,eAAe,CAAC;AAgBhE,MAAM,UAAU,oBAAoB,CAClC,IAAgE,EAChE,OAAiC;IAEjC,MAAM,OAAO,GAA2B;QACtC,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC;QAC/B,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC;KAChC,CAAC;IAEF,MAAM,MAAM,GAAG,OAAO,CAAC,EAAE,CAAC,IAAI,CAAC;IAC/B,MAAM,SAAS,GAAG,OAAO,CAAC,EAAE,CAAC,OAAO,CAAC;IAErC,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IACxD,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IAErD,MAAM,QAAQ,GACZ,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC;IAC3E,MAAM,EAAE,MAAM,EAAE,GAAG,OAAO,CAAC;IAE3B,MAAM,UAAU,GAA6B;QAC3C,GAAG,OAAO;QACV,WAAW,EAAE,EAAE,GAAG,aAAa,EAAE,QAAQ,EAAE;KAC5C,CAAC;IACF,MAAM,SAAS,GAA2B,EAAE,CAAC;IAC7C,IAAI,MAAM,KAAK,IAAI,EAAE;QACnB,MAAM,QAAQ,GAAG,IAAI,MAAM,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;QACjD,MAAM,QAAQ,GAAG,IAAI,MAAM,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;QACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;YAClC,MAAM,IAAI,GAAG;gBACX,EAAE,EAAE,OAAO,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC,CAAC;gBAC3B,EAAE,EAAE,OAAO;oBACT,CAAC,CAAC,OAAO,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC,CAAC;oBACzB,CAAC,CAAC,SAAS,CAAC,OAAO,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;aAC3C,CAAC;YACF,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,EAAE,UAAU,CAAC,CAAC;YAC9C,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;YAC1B,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;SAC3B;QACD,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;QACxB,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;KACzB;SAAM;QACL,2BAA2B;QAC3B,KAAK,MAAM,OAAO,IAAI,OAAO,EAAE;YAC7B,MAAM,QAAQ,GAAG,IAAI,MAAM,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;YACjD,MAAM,QAAQ,GAAG,IAAI,MAAM,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;YACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;gBAClC,MAAM,IAAI,GAAG,aAAa,CAAC,OAAO,CAAC,OAAO,CAAC,EAAE,EAAE,MAAM,EAAE,KAAK,EAAE,CAAC,EAAE,CAAC,CAAC;gBACnE,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,EAAE,UAAU,CAAC,CAAC;gBAC9C,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;gBAC1B,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;aAC3B;YACD,IAAI,OAAO,KAAK,IAAI,EAAE;gBACpB,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;gBACxB,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;aACzB;iBAAM;gBACL,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;gBACxB,SAAS,CAAC,EAAE,GAAG,QAAQ,CAAC;aACzB;SACF;KACF;IACD,OAAO,SAAS,CAAC;AACnB,CAAC;AAED,SAAS,QAAQ,CAAC,IAAc,EAAE,OAAiC;IACjE,MAAM,EACJ,MAAM,EACN,WAAW,EAAE,aAAa,EAC1B,WAAW,EAAE,aAAa,GAAG,EAAE,EAC/B,eAAe,GAAG,EAAE,GACrB,GAAG,OAAO,CAAC;IAEZ,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,WAAW,CAAC,IAAI,EAAE,aAAa,CAAC,CAAC;IAEpD,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,CAAC;IACvC,MAAM,WAAW,GAAG,OAAO,CAAC,WAAW,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,QAAQ,EAAE,CAAC,EAAE;QACjE,cAAc,EAAE,CAAC,CAAC,KAAK,EAAE,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,MAAM,KAAK,CAAC,CAAC;KAC3D,CAAC,CAAC;IAEH,IAAI,OAAO,CAAC,eAAe,EAAE,IAAI,KAAK,IAAI,EAAE;QAC1C,MAAM,CAAC,MAAM,CAAC,WAAW,EAAE;YACzB,EAAE,EAAE,YAAY,CAAC,WAAW,CAAC;YAC7B,EAAE,EAAE,IAAI,YAAY,CAAC,QAAQ,CAAC;SAC/B,CAAC,CAAC;KACJ;IAED,MAAM,EAAE,IAAI,EAAE,QAAQ,EAAE,GAAG,EAAE,KAAK,EAAE,GAAG,EAAE,KAAK,EAAE,GAAG,eAAe,CAAC;IACnE,IAAI,QAAQ,KAAK,IAAI,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;QACnE,MAAM,CAAC,MAAM,CACX,WAAW,EACX,mBAAmB,CACjB,WAAW,EACX,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACvB,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,CACxB,CACF,CAAC;KACH;IACD,OAAO,WAAW,CAAC;AACrB,CAAC;AAED,SAAS,aAAa,CACpB,IAAY,EACZ,IAA2D;IAE3D,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,IAAI,CAAC;IAC/B,MAAM,OAAO,GAAG,IAAI,CAAC,OAAO,IAAI,MAAM,KAAK,IAAI,CAAC;IAChD,MAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,GAAG,CAAC,CAAC;IAC/B,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACtC,MAAM,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEtC,QAAQ,MAAM,EAAE,iBAAiB,EAAE,EAAE;QACnC,iBAAiB;QACjB,wBAAwB;QACxB,KAAK,KAAK,CAAC;QACX,KAAK,MAAM;YACT,OAAO;gBACL,EAAE,EAAE,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC;gBACzB,EAAE,EAAE,IAAI,YAAY,CAAC,IAAI,CAAC,IAAI,CAAC;aAChC,CAAC;QACJ;YACE,IAAI,OAAO,EAAE;gBACX,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;oBACjC,EAAE,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,EAAE,KAAK,CAAC,CAAC;oBAC/B,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,KAAK,CAAC,CAAC;iBACrC;aACF;iBAAM;gBACL,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;oBACjC,EAAE,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,EAAE,KAAK,CAAC,CAAC;oBAC/B,EAAE,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,KAAK,CAAC,CAAC;iBACpC;aACF;KACJ;IAED,IAAI,MAAM,KAAK,aAAa,EAAE;QAC5B,8CAA8C;QAC9C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,IAAI,CAAC,EAAE;YACpC,EAAE,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;YACZ,EAAE,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;SACb;KACF;IAED,OAAO,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC;AACpB,CAAC"}
@@ -1,6 +1,6 @@
1
1
  import { xMean } from 'ml-spectra-processing';
2
2
  export function removeDCOffset(data, options) {
3
- let { digitalFilterValue = 0 } = options;
3
+ const { digitalFilterValue = 0 } = options;
4
4
  const nbPoints = data.re.length;
5
5
  const newRe = new Float64Array(data.re);
6
6
  const newIm = new Float64Array(data.im);
@@ -1 +1 @@
1
- {"version":3,"file":"removeDCOffset.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/removeDCOffset.ts"],"names":[],"mappings":"AAAA,OAAO,EAAY,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAExD,MAAM,UAAU,cAAc,CAAC,IAAc,EAAE,OAAY;IACzD,IAAI,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IACzC,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,kBAAkB,CAAC,CACrE,CAAC;IACF,MAAM,SAAS,GAAG,KAAK,CACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,kBAAkB,CAAC,CACrE,CAAC;IACF,KAAK,IAAI,CAAC,GAAG,kBAAkB,EAAE,CAAC,GAAG,QAAQ,GAAG,kBAAkB,EAAE,CAAC,EAAE,EAAE;QACvE,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;QACtB,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;KACvB;IACD,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
1
+ {"version":3,"file":"removeDCOffset.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/removeDCOffset.ts"],"names":[],"mappings":"AAAA,OAAO,EAAY,KAAK,EAAE,MAAM,uBAAuB,CAAC;AAExD,MAAM,UAAU,cAAc,CAAC,IAAc,EAAE,OAAY;IACzD,MAAM,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAC3C,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,kBAAkB,CAAC,CACrE,CAAC;IACF,MAAM,SAAS,GAAG,KAAK,CACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,kBAAkB,CAAC,CACrE,CAAC;IACF,KAAK,IAAI,CAAC,GAAG,kBAAkB,EAAE,CAAC,GAAG,QAAQ,GAAG,kBAAkB,EAAE,CAAC,EAAE,EAAE;QACvE,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;QACtB,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;KACvB;IACD,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
@@ -1,8 +1,6 @@
1
1
  export function zeroFilling(data, options) {
2
- let { nbPoints, factor = 2, digitalFilterValue: grpdly = 0 } = options;
3
- if (!nbPoints) {
4
- nbPoints = 2 ** Math.round(Math.log2(data.re.length * factor));
5
- }
2
+ const { factor = 2, digitalFilterValue: grpdly = 0 } = options;
3
+ const nbPoints = options.nbPoints || 2 ** Math.round(Math.log2(data.re.length * factor));
6
4
  let pointsToShift;
7
5
  if (grpdly > 0) {
8
6
  pointsToShift = Math.floor(grpdly);
@@ -11,8 +9,8 @@ export function zeroFilling(data, options) {
11
9
  pointsToShift = 0;
12
10
  }
13
11
  const { re, im } = data;
14
- let newRE = new Float64Array(nbPoints);
15
- let newIM = new Float64Array(nbPoints);
12
+ const newRE = new Float64Array(nbPoints);
13
+ const newIM = new Float64Array(nbPoints);
16
14
  const length = Math.min(nbPoints, re.length);
17
15
  newRE.set(re.slice(0, length - pointsToShift));
18
16
  newIM.set(im.slice(0, length - pointsToShift));
@@ -1 +1 @@
1
- {"version":3,"file":"zeroFilling.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/zeroFilling.ts"],"names":[],"mappings":"AAQA,MAAM,UAAU,WAAW,CAAC,IAAc,EAAE,OAA2B;IACrE,IAAI,EAAE,QAAQ,EAAE,MAAM,GAAG,CAAC,EAAE,kBAAkB,EAAE,MAAM,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAEvE,IAAI,CAAC,QAAQ,EAAE;QACb,QAAQ,GAAG,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,MAAM,GAAG,MAAM,CAAC,CAAC,CAAC;KAChE;IAED,IAAI,aAAa,CAAC;IAClB,IAAI,MAAM,GAAG,CAAC,EAAE;QACd,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;KACpC;SAAM;QACL,aAAa,GAAG,CAAC,CAAC;KACnB;IAED,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IAExB,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACvC,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEvC,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC;IAE7C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAC/C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAE/C,IAAI,aAAa,GAAG,CAAC,IAAI,aAAa,GAAG,QAAQ,EAAE;QACjD,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;QACzE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;KAC1E;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
1
+ {"version":3,"file":"zeroFilling.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/zeroFilling.ts"],"names":[],"mappings":"AAQA,MAAM,UAAU,WAAW,CAAC,IAAc,EAAE,OAA2B;IACrE,MAAM,EAAE,MAAM,GAAG,CAAC,EAAE,kBAAkB,EAAE,MAAM,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAE/D,MAAM,QAAQ,GACZ,OAAO,CAAC,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,MAAM,GAAG,MAAM,CAAC,CAAC,CAAC;IAE1E,IAAI,aAAa,CAAC;IAClB,IAAI,MAAM,GAAG,CAAC,EAAE;QACd,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;KACpC;SAAM;QACL,aAAa,GAAG,CAAC,CAAC;KACnB;IAED,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IAExB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACzC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEzC,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC;IAE7C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAC/C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAE/C,IAAI,aAAa,GAAG,CAAC,IAAI,aAAa,GAAG,QAAQ,EAAE;QACjD,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;QACzE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;KAC1E;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
@@ -1,9 +1,9 @@
1
1
  import { v4 as generateID } from '@lukeed/uuid';
2
2
  export function formatZones(signals) {
3
- let zones = [];
3
+ const zones = [];
4
4
  for (const signal of signals) {
5
- let minMax1 = [Number.MAX_VALUE, 0];
6
- let minMax2 = [Number.MAX_VALUE, 0];
5
+ const minMax1 = [Number.MAX_VALUE, 0];
6
+ const minMax2 = [Number.MAX_VALUE, 0];
7
7
  for (const peak of signal.peaks || []) {
8
8
  if (peak.minX < minMax1[0]) {
9
9
  minMax1[0] = peak.minX;
@@ -1 +1 @@
1
- {"version":3,"file":"formatZone.js","sourceRoot":"","sources":["../../../src/xyz/util/formatZone.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAKhD,MAAM,UAAU,WAAW,CAAC,OAA4B;IACtD,IAAI,KAAK,GAAoB,EAAE,CAAC;IAChC,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,OAAO,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC,CAAC,CAAC;QACpC,IAAI,OAAO,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC,CAAC,CAAC;QACpC,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,IAAI,EAAE,EAAE;YACrC,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;SACF;QACD,KAAK,CAAC,IAAI,CAAC;YACT,EAAE,EAAE,UAAU,EAAE;YAChB,CAAC,EAAE;gBACD,IAAI,EAAE,OAAO,CAAC,CAAC,CAAC;gBAChB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;aACf;YACD,CAAC,EAAE;gBACD,IAAI,EAAE,OAAO,CAAC,CAAC,CAAC;gBAChB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;aACf;YACD,OAAO,EAAE,CAAC,MAAM,CAAC;SAClB,CAAC,CAAC;KACJ;IACD,OAAO,KAAK,CAAC;AACf,CAAC"}
1
+ {"version":3,"file":"formatZone.js","sourceRoot":"","sources":["../../../src/xyz/util/formatZone.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAKhD,MAAM,UAAU,WAAW,CAAC,OAA4B;IACtD,MAAM,KAAK,GAAoB,EAAE,CAAC;IAClC,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,MAAM,OAAO,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC,CAAC,CAAC;QACtC,MAAM,OAAO,GAAG,CAAC,MAAM,CAAC,SAAS,EAAE,CAAC,CAAC,CAAC;QACtC,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,IAAI,EAAE,EAAE;YACrC,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;YACD,IAAI,IAAI,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,EAAE;gBAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC;aACxB;SACF;QACD,KAAK,CAAC,IAAI,CAAC;YACT,EAAE,EAAE,UAAU,EAAE;YAChB,CAAC,EAAE;gBACD,IAAI,EAAE,OAAO,CAAC,CAAC,CAAC;gBAChB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;aACf;YACD,CAAC,EAAE;gBACD,IAAI,EAAE,OAAO,CAAC,CAAC,CAAC;gBAChB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;aACf;YACD,OAAO,EAAE,CAAC,MAAM,CAAC;SAClB,CAAC,CAAC;KACJ;IACD,OAAO,KAAK,CAAC;AACf,CAAC"}
@@ -0,0 +1,19 @@
1
+ export function getMinMaxXY(info) {
2
+ const min = [];
3
+ const max = [];
4
+ for (let i = 0; i < info.baseFrequency.length; i++) {
5
+ const baseFrequency = info.baseFrequency[i];
6
+ const frequencyOffset = info.frequencyOffset[i];
7
+ const spectralWidth = info.spectralWidth[i];
8
+ const offset = frequencyOffset / baseFrequency;
9
+ min.push(offset - spectralWidth * 0.5);
10
+ max.push(offset + spectralWidth * 0.5);
11
+ }
12
+ return {
13
+ minX: min[0],
14
+ maxX: max[0],
15
+ minY: min[1],
16
+ maxY: max[1],
17
+ };
18
+ }
19
+ //# sourceMappingURL=getMinMaxXY.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"getMinMaxXY.js","sourceRoot":"","sources":["../../../src/xyz/util/getMinMaxXY.ts"],"names":[],"mappings":"AAAA,MAAM,UAAU,WAAW,CAAC,IAAyB;IACnD,MAAM,GAAG,GAAa,EAAE,CAAC;IACzB,MAAM,GAAG,GAAa,EAAE,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,aAAa,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QAClD,MAAM,aAAa,GAAG,IAAI,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;QAC5C,MAAM,eAAe,GAAG,IAAI,CAAC,eAAe,CAAC,CAAC,CAAC,CAAC;QAChD,MAAM,aAAa,GAAG,IAAI,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;QAC5C,MAAM,MAAM,GAAG,eAAe,GAAG,aAAa,CAAC;QAC/C,GAAG,CAAC,IAAI,CAAC,MAAM,GAAG,aAAa,GAAG,GAAG,CAAC,CAAC;QACvC,GAAG,CAAC,IAAI,CAAC,MAAM,GAAG,aAAa,GAAG,GAAG,CAAC,CAAC;KACxC;IAED,OAAO;QACL,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;QACZ,IAAI,EAAE,GAAG,CAAC,CAAC,CAAC;KACb,CAAC;AACJ,CAAC"}
@@ -1,18 +1,18 @@
1
1
  export function padData(spectraData, options) {
2
- let { minX, maxX, minY, maxY } = spectraData;
2
+ const { minX, maxX, minY, maxY } = spectraData;
3
3
  const width = options.width;
4
- let nbPoints = spectraData.z[0].length;
5
- let nbSubSpectra = spectraData.z.length;
6
- let yInterval = (maxY - minY) / (nbSubSpectra - 1);
7
- let xInterval = (maxX - minX) / (nbPoints - 1);
4
+ const nbPoints = spectraData.z[0].length;
5
+ const nbSubSpectra = spectraData.z.length;
6
+ const yInterval = (maxY - minY) / (nbSubSpectra - 1);
7
+ const xInterval = (maxX - minX) / (nbPoints - 1);
8
8
  let yDiff = width - nbSubSpectra;
9
9
  let xDiff = Math.max(width - nbPoints, 0);
10
10
  if (xDiff % 2)
11
11
  xDiff++;
12
12
  if (yDiff % 2)
13
13
  yDiff++;
14
- let xOffset = xDiff / 2;
15
- let yOffset = yDiff / 2;
14
+ const xOffset = xDiff / 2;
15
+ const yOffset = yDiff / 2;
16
16
  const newMatrix = [];
17
17
  for (let i = 0; i < nbSubSpectra + yDiff; i++) {
18
18
  newMatrix.push(new Float64Array(nbPoints + xDiff));
@@ -1 +1 @@
1
- {"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":"AAEA,MAAM,UAAU,OAAO,CACrB,WAA6B,EAC7B,OAA0B;IAE1B,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,WAAW,CAAC;IAE7C,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,CAAC;IAE5B,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAExC,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;IACnD,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IAE/C,IAAI,KAAK,GAAG,KAAK,GAAG,YAAY,CAAC;IACjC,IAAI,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,QAAQ,EAAE,CAAC,CAAC,CAAC;IAC1C,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IACvB,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IAEvB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IACxB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IAExB,MAAM,SAAS,GAAmB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC7C,SAAS,CAAC,IAAI,CAAC,IAAI,YAAY,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC;KACpD;IACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,EAAE,CAAC,EAAE,EAAE;QACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;YACjC,SAAS,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC;SACvD;KACF;IAED,OAAO;QACL,GAAG,WAAW;QACd,CAAC,EAAE,SAAS;QACZ,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;KACjC,CAAC;AACJ,CAAC"}
1
+ {"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":"AAEA,MAAM,UAAU,OAAO,CACrB,WAA6B,EAC7B,OAA0B;IAE1B,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,WAAW,CAAC;IAE/C,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,CAAC;IAE5B,MAAM,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACzC,MAAM,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAE1C,MAAM,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;IACrD,MAAM,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IAEjD,IAAI,KAAK,GAAG,KAAK,GAAG,YAAY,CAAC;IACjC,IAAI,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,QAAQ,EAAE,CAAC,CAAC,CAAC;IAC1C,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IACvB,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IAEvB,MAAM,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IAC1B,MAAM,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IAE1B,MAAM,SAAS,GAAmB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC7C,SAAS,CAAC,IAAI,CAAC,IAAI,YAAY,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC;KACpD;IACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,EAAE,CAAC,EAAE,EAAE;QACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;YACjC,SAAS,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC;SACvD;KACF;IAED,OAAO;QACL,GAAG,WAAW;QACd,CAAC,EAAE,SAAS;QACZ,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;KACjC,CAAC;AACJ,CAAC"}
@@ -0,0 +1,20 @@
1
+ import { getZMinMax } from './getZMinMax';
2
+ import Matrix from 'ml-matrix';
3
+ import { checkNmrData2DFourQuad } from './checkNmrData2DFourQuad';
4
+ export function applyOverImag(data, options) {
5
+ checkNmrData2DFourQuad(data);
6
+ const { applyPhaseCorrection } = options;
7
+ const { re, im } = applyPhaseCorrection({ re: Matrix.checkMatrix(data.ri.z), im: Matrix.checkMatrix(data.ii.z) }, options);
8
+ return {
9
+ ...data,
10
+ ri: {
11
+ ...data.ri,
12
+ ...getZMinMax(re),
13
+ },
14
+ ii: {
15
+ ...data.ii,
16
+ ...getZMinMax(im),
17
+ },
18
+ };
19
+ }
20
+ //# sourceMappingURL=applyOverImag.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"applyOverImag.js","sourceRoot":"","sources":["../../../../src/xyz/util/phaseCorrection/applyOverImag.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,UAAU,EAAE,MAAM,cAAc,CAAC;AAC1C,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,EAAE,sBAAsB,EAAE,MAAM,0BAA0B,CAAC;AAElE,MAAM,UAAU,aAAa,CAC3B,IAAO,EACP,OAA+B;IAE/B,sBAAsB,CAAC,IAAI,CAAC,CAAC;IAC7B,MAAM,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IACzC,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,oBAAoB,CACrC,EAAE,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EACxE,OAAO,CACR,CAAC;IAEF,OAAO;QACL,GAAG,IAAI;QACP,EAAE,EAAE;YACF,GAAG,IAAI,CAAC,EAAE;YACV,GAAG,UAAU,CAAC,EAAE,CAAC;SAClB;QACD,EAAE,EAAE;YACF,GAAG,IAAI,CAAC,EAAE;YACV,GAAG,UAAU,CAAC,EAAE,CAAC;SAClB;KACF,CAAC;AACJ,CAAC"}
@@ -0,0 +1,20 @@
1
+ import { checkNmrData2DTwoQuad } from './checkNmrData2DTwoQuad';
2
+ import Matrix from 'ml-matrix';
3
+ import { getZMinMax } from './getZMinMax';
4
+ export function applyOverReal(data, options) {
5
+ const { applyPhaseCorrection } = options;
6
+ checkNmrData2DTwoQuad(data);
7
+ const { re, im } = applyPhaseCorrection({ re: Matrix.checkMatrix(data.rr.z), im: Matrix.checkMatrix(data.ir.z) }, options);
8
+ return {
9
+ ...data,
10
+ rr: {
11
+ ...data.rr,
12
+ ...getZMinMax(re),
13
+ },
14
+ ir: {
15
+ ...data.ir,
16
+ ...getZMinMax(im),
17
+ },
18
+ };
19
+ }
20
+ //# sourceMappingURL=applyOverReal.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"applyOverReal.js","sourceRoot":"","sources":["../../../../src/xyz/util/phaseCorrection/applyOverReal.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,qBAAqB,EAAE,MAAM,yBAAyB,CAAC;AAChE,OAAO,MAAM,MAAM,WAAW,CAAC;AAC/B,OAAO,EAAE,UAAU,EAAE,MAAM,cAAc,CAAC;AAG1C,MAAM,UAAU,aAAa,CAC3B,IAAO,EACP,OAA+B;IAE/B,MAAM,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IACzC,qBAAqB,CAAC,IAAI,CAAC,CAAC;IAC5B,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,oBAAoB,CACrC,EAAE,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,EAAE,MAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EACxE,OAAO,CACR,CAAC;IAEF,OAAO;QACL,GAAG,IAAI;QACP,EAAE,EAAE;YACF,GAAG,IAAI,CAAC,EAAE;YACV,GAAG,UAAU,CAAC,EAAE,CAAC;SAClB;QACD,EAAE,EAAE;YACF,GAAG,IAAI,CAAC,EAAE;YACV,GAAG,UAAU,CAAC,EAAE,CAAC;SAClB;KACF,CAAC;AACJ,CAAC"}
@@ -0,0 +1,6 @@
1
+ export function checkNmrData2DFourQuad(data) {
2
+ if (!('ir' in data)) {
3
+ throw new Error('four quadrants should has ir, ri and ii quadrants');
4
+ }
5
+ }
6
+ //# sourceMappingURL=checkNmrData2DFourQuad.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"checkNmrData2DFourQuad.js","sourceRoot":"","sources":["../../../../src/xyz/util/phaseCorrection/checkNmrData2DFourQuad.ts"],"names":[],"mappings":"AAKA,MAAM,UAAU,sBAAsB,CACpC,IAAiB;IAEjB,IAAI,CAAC,CAAC,IAAI,IAAI,IAAI,CAAC,EAAE;QACnB,MAAM,IAAI,KAAK,CAAC,mDAAmD,CAAC,CAAC;KACtE;AACH,CAAC"}
@@ -0,0 +1,6 @@
1
+ export function checkNmrData2DTwoQuad(data) {
2
+ if (!('ir' in data)) {
3
+ throw new Error('Two quadrants should has ir quadrant');
4
+ }
5
+ }
6
+ //# sourceMappingURL=checkNmrData2DTwoQuad.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"checkNmrData2DTwoQuad.js","sourceRoot":"","sources":["../../../../src/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.ts"],"names":[],"mappings":"AAIA,MAAM,UAAU,qBAAqB,CACnC,IAAiB;IAEjB,IAAI,CAAC,CAAC,IAAI,IAAI,IAAI,CAAC,EAAE;QACnB,MAAM,IAAI,KAAK,CAAC,sCAAsC,CAAC,CAAC;KACzD;AACH,CAAC"}
@@ -0,0 +1,9 @@
1
+ import { xEnsureFloat64 } from 'ml-spectra-processing';
2
+ export function getZMinMax(data) {
3
+ return {
4
+ z: data.to2DArray().map(xEnsureFloat64),
5
+ maxZ: data.max(),
6
+ minZ: data.min(),
7
+ };
8
+ }
9
+ //# sourceMappingURL=getZMinMax.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"getZMinMax.js","sourceRoot":"","sources":["../../../../src/xyz/util/phaseCorrection/getZMinMax.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,cAAc,EAAE,MAAM,uBAAuB,CAAC;AAEvD,MAAM,UAAU,UAAU,CAAC,IAAY;IACrC,OAAO;QACL,CAAC,EAAE,IAAI,CAAC,SAAS,EAAE,CAAC,GAAG,CAAC,cAAc,CAAC;QACvC,IAAI,EAAE,IAAI,CAAC,GAAG,EAAE;QAChB,IAAI,EAAE,IAAI,CAAC,GAAG,EAAE;KACjB,CAAC;AACJ,CAAC"}
@@ -19,7 +19,8 @@ const smallFilter = [
19
19
  [0, 0, 1, 2, 2, 2, 1, 0, 0],
20
20
  ];
21
21
  export function xyzAutoSignalsPicking(spectraData, options) {
22
- let { sizeToPad = 14, realTopDetection = true, thresholdFactor = 0.5, nuclei = ['1H', '1H'], observedFrequencies, enhanceSymmetry = false, clean = true, maxPercentCutOff = 0.03, tolerances = [24, 24], convolutionByFFT = true, kernel: kernelOptions, } = options;
22
+ const { sizeToPad = 14, realTopDetection = true, nuclei = ['1H', '1H'], observedFrequencies, enhanceSymmetry = false, clean = true, maxPercentCutOff = 0.03, tolerances = [24, 24], convolutionByFFT = true, kernel: kernelOptions, } = options;
23
+ let { thresholdFactor = 0.5 } = options;
23
24
  if (!Array.isArray(observedFrequencies) &&
24
25
  !ArrayBuffer.isView(observedFrequencies)) {
25
26
  throw new Error('observedFrequencies is mandatory');
@@ -32,18 +33,18 @@ export function xyzAutoSignalsPicking(spectraData, options) {
32
33
  nbPoints = spectraData.z[0].length;
33
34
  nbSubSpectra = spectraData.z.length;
34
35
  }
35
- let absoluteData = new Float64Array(nbPoints * nbSubSpectra);
36
- let originalData = new Float64Array(nbPoints * nbSubSpectra);
36
+ const absoluteData = new Float64Array(nbPoints * nbSubSpectra);
37
+ const originalData = new Float64Array(nbPoints * nbSubSpectra);
37
38
  for (let iSubSpectra = 0; iSubSpectra < nbSubSpectra; iSubSpectra++) {
38
- let spectrum = spectraData.z[iSubSpectra];
39
+ const spectrum = spectraData.z[iSubSpectra];
39
40
  for (let iCol = 0; iCol < nbPoints; iCol++) {
40
- let index = iSubSpectra * nbPoints + iCol;
41
+ const index = iSubSpectra * nbPoints + iCol;
41
42
  absoluteData[index] = Math.abs(spectrum[iCol]);
42
43
  originalData[index] = spectrum[iCol]; //@todo pensar si se puede evitar originalData
43
44
  }
44
45
  }
45
46
  const kernel = kernelOptions ? getKernel(kernelOptions) : smallFilter;
46
- let convolutedSpectrum = convolutionByFFT
47
+ const convolutedSpectrum = convolutionByFFT
47
48
  ? convolution.fft(absoluteData, kernel, {
48
49
  rows: nbSubSpectra,
49
50
  cols: nbPoints,
@@ -83,12 +84,12 @@ export function xyzAutoSignalsPicking(spectraData, options) {
83
84
  return signals;
84
85
  }
85
86
  function createSignals2D(peaks, options) {
86
- let { nCols, nRows, absoluteData, originalData, observedFrequencies, tolerances, nuclei, realTopDetection, minY, maxY, minX, maxX, } = options;
87
- let [nucleusX, nucleusY] = nuclei;
88
- let [toleranceX, toleranceY] = tolerances;
89
- let [observeFrequencyX, observeFrequencyY] = observedFrequencies;
90
- let dy = (maxY - minY) / (nRows - 1);
91
- let dx = (maxX - minX) / (nCols - 1);
87
+ const { nCols, nRows, absoluteData, originalData, observedFrequencies, tolerances, nuclei, realTopDetection, minY, maxY, minX, maxX, } = options;
88
+ const [nucleusX, nucleusY] = nuclei;
89
+ const [toleranceX, toleranceY] = tolerances;
90
+ const [observeFrequencyX, observeFrequencyY] = observedFrequencies;
91
+ const dy = (maxY - minY) / (nRows - 1);
92
+ const dx = (maxX - minX) / (nCols - 1);
92
93
  if (realTopDetection) {
93
94
  peaks = determineRealTop(peaks, {
94
95
  nCols,
@@ -101,7 +102,7 @@ function createSignals2D(peaks, options) {
101
102
  });
102
103
  }
103
104
  for (let i = peaks.length - 1; i >= 0; i--) {
104
- let { x, y } = peaks[i];
105
+ const { x, y } = peaks[i];
105
106
  peaks[i].x = minX + dx * x;
106
107
  peaks[i].y = minY + dy * y;
107
108
  peaks[i].minX = minX + dx * peaks[i].minX;
@@ -112,7 +113,7 @@ function createSignals2D(peaks, options) {
112
113
  }
113
114
  // The connectivity matrix is an square and symmetric matrix, so we'll only store the upper diagonal in an
114
115
  // array like form
115
- let connectivity = [];
116
+ const connectivity = [];
116
117
  for (let i = 0; i < peaks.length; i++) {
117
118
  for (let j = i; j < peaks.length; j++) {
118
119
  if (Math.abs(peaks[i].x - peaks[j].x) * observeFrequencyX < toleranceX &&
@@ -125,11 +126,11 @@ function createSignals2D(peaks, options) {
125
126
  }
126
127
  }
127
128
  }
128
- let clusters = simpleClustering(connectivity);
129
- let signals = [];
129
+ const clusters = simpleClustering(connectivity);
130
+ const signals = [];
130
131
  if (clusters) {
131
132
  for (const cluster of clusters) {
132
- let signal = {
133
+ const signal = {
133
134
  id: generateID(),
134
135
  x: {
135
136
  delta: 0,
@@ -142,7 +143,7 @@ function createSignals2D(peaks, options) {
142
143
  resolution: dy,
143
144
  },
144
145
  };
145
- let peaks2D = [];
146
+ const peaks2D = [];
146
147
  let sumZ = 0;
147
148
  for (let jPeak = 0; jPeak < cluster.length; jPeak++) {
148
149
  if (cluster[jPeak] === 1) {
@@ -1 +1 @@
1
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+ 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@@ -1,6 +1,7 @@
1
1
  import { quadrature } from './quadrature';
2
2
  import { fftDirectDimension, } from './util/fft2d/fftDirectDimension';
3
3
  import { fftIndirectDimension, } from './util/fft2d/fftIndirectDimension';
4
+ import { getMinMaxXY } from './util/getMinMaxXY';
4
5
  export function xyzBidimensionalFFT(data, options) {
5
6
  ensureData2DFid(data);
6
7
  const { info, fnMode, digitalFilterValue = 0, zeroFilling: zeroFillingGeneral, } = options;
@@ -54,22 +55,4 @@ function convertToDoubleArray(data) {
54
55
  }
55
56
  return result;
56
57
  }
57
- function getMinMaxXY(info) {
58
- const min = [];
59
- const max = [];
60
- for (let i = 0; i < info.baseFrequency.length; i++) {
61
- const baseFrequency = Number.parseFloat(info.baseFrequency[i]);
62
- const frequencyOffset = Number.parseFloat(info.frequencyOffset[i]);
63
- const spectralWidth = Number.parseFloat(info.spectralWidth[i]);
64
- const offset = frequencyOffset / baseFrequency;
65
- min.push(offset - spectralWidth * 0.5);
66
- max.push(offset + spectralWidth * 0.5);
67
- }
68
- return {
69
- minX: min[0],
70
- maxX: max[0],
71
- minY: min[1],
72
- maxY: max[1],
73
- };
74
- }
75
58
  //# sourceMappingURL=xyzBidimensionalFFT.js.map
@@ -1 +1 @@
1
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