nmr-processing 9.5.1 → 9.5.2-pre.1685982544

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 (543) hide show
  1. package/lib/apodization/apodization.d.ts +11 -5
  2. package/lib/apodization/apodization.js +7 -4
  3. package/lib/apodization/apodization.js.map +1 -1
  4. package/lib/apodization/applyWindow.js.map +1 -1
  5. package/lib/apodization/compose.js.map +1 -1
  6. package/lib/apodization/getFunction.js +3 -0
  7. package/lib/apodization/getFunction.js.map +1 -1
  8. package/lib/apodization/shapes/WindowFunctions.d.ts +6 -1
  9. package/lib/apodization/shapes/sineBell.d.ts +27 -0
  10. package/lib/apodization/shapes/sineBell.js +17 -0
  11. package/lib/apodization/shapes/sineBell.js.map +1 -0
  12. package/lib/apodization/utils/getData.js.map +1 -1
  13. package/lib/assignment/utils/getAssignment/buildAssignments.js +2 -3
  14. package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
  15. package/lib/constants/SignalsKinds.d.ts +9 -0
  16. package/lib/constants/SignalsKinds.js +40 -0
  17. package/lib/constants/SignalsKinds.js.map +1 -0
  18. package/lib/datum/ExclusionZone.d.ts +5 -0
  19. package/lib/datum/ExclusionZone.js +3 -0
  20. package/lib/datum/ExclusionZone.js.map +1 -0
  21. package/lib/datum/Filters.d.ts +14 -0
  22. package/lib/datum/Filters.js +55 -0
  23. package/lib/datum/Filters.js.map +1 -0
  24. package/lib/datum/FiltersManager.d.ts +31 -0
  25. package/lib/datum/FiltersManager.js +184 -0
  26. package/lib/datum/FiltersManager.js.map +1 -0
  27. package/lib/datum/MatrixFilter.d.ts +39 -0
  28. package/lib/datum/MatrixFilter.js +3 -0
  29. package/lib/datum/MatrixFilter.js.map +1 -0
  30. package/lib/datum/MatrixOptions.d.ts +28 -0
  31. package/lib/datum/MatrixOptions.js +3 -0
  32. package/lib/datum/MatrixOptions.js.map +1 -0
  33. package/lib/datum/data1d/Entry1D.d.ts +17 -0
  34. package/lib/datum/data1d/Entry1D.js +3 -0
  35. package/lib/datum/data1d/Entry1D.js.map +1 -0
  36. package/lib/datum/data1d/filter1d/apodization/apodization.d.ts +25 -0
  37. package/lib/datum/data1d/filter1d/apodization/apodization.js +36 -0
  38. package/lib/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
  39. package/lib/datum/data1d/filter1d/apodization/apodizationFilter.d.ts +14 -0
  40. package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js +37 -0
  41. package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
  42. package/lib/datum/data1d/filter1d/baselineCorrection.d.ts +32 -0
  43. package/lib/datum/data1d/filter1d/baselineCorrection.js +61 -0
  44. package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
  45. package/lib/datum/data1d/filter1d/digitalFilter.d.ts +23 -0
  46. package/lib/datum/data1d/filter1d/digitalFilter.js +54 -0
  47. package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -0
  48. package/lib/datum/data1d/filter1d/equallySpaced.d.ts +31 -0
  49. package/lib/datum/data1d/filter1d/equallySpaced.js +59 -0
  50. package/lib/datum/data1d/filter1d/equallySpaced.js.map +1 -0
  51. package/lib/datum/data1d/filter1d/exclusionZones.d.ts +11 -0
  52. package/lib/datum/data1d/filter1d/exclusionZones.js +35 -0
  53. package/lib/datum/data1d/filter1d/exclusionZones.js.map +1 -0
  54. package/lib/datum/data1d/filter1d/fft.d.ts +19 -0
  55. package/lib/datum/data1d/filter1d/fft.js +93 -0
  56. package/lib/datum/data1d/filter1d/fft.js.map +1 -0
  57. package/lib/datum/data1d/filter1d/phaseCorrection.d.ts +33 -0
  58. package/lib/datum/data1d/filter1d/phaseCorrection.js +83 -0
  59. package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
  60. package/lib/datum/data1d/filter1d/shiftX.d.ts +22 -0
  61. package/lib/datum/data1d/filter1d/shiftX.js +33 -0
  62. package/lib/datum/data1d/filter1d/shiftX.js.map +1 -0
  63. package/lib/datum/data1d/filter1d/signalProcessing.d.ts +17 -0
  64. package/lib/datum/data1d/filter1d/signalProcessing.js +87 -0
  65. package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -0
  66. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.d.ts +7 -0
  67. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +37 -0
  68. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
  69. package/lib/datum/data1d/filter1d/zeroFilling.d.ts +23 -0
  70. package/lib/datum/data1d/filter1d/zeroFilling.js +61 -0
  71. package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -0
  72. package/lib/datum/data1d/utils/RangeUtilities.d.ts +22 -0
  73. package/lib/datum/data1d/utils/RangeUtilities.js +83 -0
  74. package/lib/datum/data1d/utils/RangeUtilities.js.map +1 -0
  75. package/lib/datum/data1d/utils/checkIntegralKind.d.ts +7 -0
  76. package/lib/datum/data1d/utils/checkIntegralKind.js +14 -0
  77. package/lib/datum/data1d/utils/checkIntegralKind.js.map +1 -0
  78. package/lib/datum/data1d/utils/checkRangeKind.d.ts +2 -0
  79. package/lib/datum/data1d/utils/checkRangeKind.js +10 -0
  80. package/lib/datum/data1d/utils/checkRangeKind.js.map +1 -0
  81. package/lib/datum/data1d/utils/getShiftX.d.ts +2 -0
  82. package/lib/datum/data1d/utils/getShiftX.js +11 -0
  83. package/lib/datum/data1d/utils/getShiftX.js.map +1 -0
  84. package/lib/datum/data1d/utils/getSpectrumErrorValue.d.ts +2 -0
  85. package/lib/datum/data1d/utils/getSpectrumErrorValue.js +9 -0
  86. package/lib/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
  87. package/lib/datum/data1d/utils/mapIntegrals.d.ts +13 -0
  88. package/lib/datum/data1d/utils/mapIntegrals.js +41 -0
  89. package/lib/datum/data1d/utils/mapIntegrals.js.map +1 -0
  90. package/lib/datum/data1d/utils/mapPeaks.d.ts +4 -0
  91. package/lib/datum/data1d/utils/mapPeaks.js +50 -0
  92. package/lib/datum/data1d/utils/mapPeaks.js.map +1 -0
  93. package/lib/datum/data1d/utils/mapRanges.d.ts +38 -0
  94. package/lib/datum/data1d/utils/mapRanges.js +83 -0
  95. package/lib/datum/data1d/utils/mapRanges.js.map +1 -0
  96. package/lib/datum/data1d/utils/mapValues.d.ts +26 -0
  97. package/lib/datum/data1d/utils/mapValues.js +15 -0
  98. package/lib/datum/data1d/utils/mapValues.js.map +1 -0
  99. package/lib/datum/data1d/utils/updateIntegrals.d.ts +2 -0
  100. package/lib/datum/data1d/utils/updateIntegrals.js +11 -0
  101. package/lib/datum/data1d/utils/updateIntegrals.js.map +1 -0
  102. package/lib/datum/data1d/utils/updateIntegralsRelativeValues.d.ts +2 -0
  103. package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js +26 -0
  104. package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
  105. package/lib/datum/data1d/utils/updatePeaks.d.ts +2 -0
  106. package/lib/datum/data1d/utils/updatePeaks.js +12 -0
  107. package/lib/datum/data1d/utils/updatePeaks.js.map +1 -0
  108. package/lib/datum/data1d/utils/updateRanges.d.ts +2 -0
  109. package/lib/datum/data1d/utils/updateRanges.js +14 -0
  110. package/lib/datum/data1d/utils/updateRanges.js.map +1 -0
  111. package/lib/datum/data1d/utils/updateRangesRelativeValues.d.ts +2 -0
  112. package/lib/datum/data1d/utils/updateRangesRelativeValues.js +26 -0
  113. package/lib/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
  114. package/lib/datum/data2d/Entry2D.d.ts +12 -0
  115. package/lib/datum/data2d/Entry2D.js +3 -0
  116. package/lib/datum/data2d/Entry2D.js.map +1 -0
  117. package/lib/datum/data2d/filter2d/shiftX.d.ts +16 -0
  118. package/lib/datum/data2d/filter2d/shiftX.js +34 -0
  119. package/lib/datum/data2d/filter2d/shiftX.js.map +1 -0
  120. package/lib/datum/data2d/filter2d/shiftY.d.ts +16 -0
  121. package/lib/datum/data2d/filter2d/shiftY.js +34 -0
  122. package/lib/datum/data2d/filter2d/shiftY.js.map +1 -0
  123. package/lib/datum/data2d/utils/get2DSpectrumErrorValue.d.ts +6 -0
  124. package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js +14 -0
  125. package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
  126. package/lib/datum/data2d/utils/getShift.d.ts +6 -0
  127. package/lib/datum/data2d/utils/getShift.js +20 -0
  128. package/lib/datum/data2d/utils/getShift.js.map +1 -0
  129. package/lib/datum/data2d/utils/isZoneExists.d.ts +4 -0
  130. package/lib/datum/data2d/utils/isZoneExists.js +20 -0
  131. package/lib/datum/data2d/utils/isZoneExists.js.map +1 -0
  132. package/lib/datum/data2d/utils/mapZones.d.ts +34 -0
  133. package/lib/datum/data2d/utils/mapZones.js +68 -0
  134. package/lib/datum/data2d/utils/mapZones.js.map +1 -0
  135. package/lib/datum/data2d/utils/updateZones.d.ts +2 -0
  136. package/lib/datum/data2d/utils/updateZones.js +12 -0
  137. package/lib/datum/data2d/utils/updateZones.js.map +1 -0
  138. package/lib/index.d.ts +29 -0
  139. package/lib/index.js +26 -0
  140. package/lib/index.js.map +1 -1
  141. package/lib/multiplicity/joinPatterns.js +1 -1
  142. package/lib/multiplicity/joinPatterns.js.map +1 -1
  143. package/lib/prediction/utils/getPredictions.js +1 -1
  144. package/lib/prediction/utils/getPredictions.js.map +1 -1
  145. package/lib/signal/signalJoinCouplings.js +2 -5
  146. package/lib/signal/signalJoinCouplings.js.map +1 -1
  147. package/lib/signal/signalMultiplicityPattern.js +1 -1
  148. package/lib/signal/signalMultiplicityPattern.js.map +1 -1
  149. package/lib/signals/optimization/getInternalSignals.js +3 -5
  150. package/lib/signals/optimization/getInternalSignals.js.map +1 -1
  151. package/lib/signals/signalsJoin.js +4 -8
  152. package/lib/signals/signalsJoin.js.map +1 -1
  153. package/lib/signals/signalsToRanges.js.map +1 -1
  154. package/lib/signals/signalsToXY.js +1 -2
  155. package/lib/signals/signalsToXY.js.map +1 -1
  156. package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
  157. package/lib/signals/utils/jAnalyzer.d.ts +11 -8
  158. package/lib/signals/utils/jAnalyzer.js.map +1 -1
  159. package/lib/types/Data1D.d.ts +5 -0
  160. package/lib/types/Data1D.js +3 -0
  161. package/lib/types/Data1D.js.map +1 -0
  162. package/lib/types/Data2D.d.ts +5 -0
  163. package/{lib-esm/xyz → lib/types}/Data2D.js.map +1 -1
  164. package/lib/types/Filter.d.ts +11 -0
  165. package/lib/types/Filter.js +3 -0
  166. package/lib/types/Filter.js.map +1 -0
  167. package/lib/types/Info/Info.d.ts +15 -0
  168. package/lib/types/Info/Info.js +3 -0
  169. package/lib/types/Info/Info.js.map +1 -0
  170. package/lib/types/Info/Info1D.d.ts +13 -0
  171. package/lib/types/Info/Info1D.js +3 -0
  172. package/lib/types/Info/Info1D.js.map +1 -0
  173. package/lib/types/Info/Info2D.d.ts +10 -0
  174. package/lib/types/Info/Info2D.js +3 -0
  175. package/lib/types/Info/Info2D.js.map +1 -0
  176. package/lib/types/Integral.d.ts +10 -0
  177. package/lib/types/Integral.js +3 -0
  178. package/lib/types/Integral.js.map +1 -0
  179. package/lib/types/Integrals.d.ts +6 -0
  180. package/lib/types/Integrals.js +3 -0
  181. package/lib/types/Integrals.js.map +1 -0
  182. package/lib/types/Options/SumOptions.d.ts +24 -0
  183. package/lib/types/Options/SumOptions.js +3 -0
  184. package/lib/types/Options/SumOptions.js.map +1 -0
  185. package/lib/types/Peaks/BasePeak.d.ts +3 -0
  186. package/lib/types/Peaks/BasePeak.js +3 -0
  187. package/lib/types/Peaks/BasePeak.js.map +1 -0
  188. package/lib/types/Peaks/Peak1D.d.ts +5 -0
  189. package/lib/types/Peaks/Peak1D.js +3 -0
  190. package/lib/types/Peaks/Peak1D.js.map +1 -0
  191. package/lib/types/Peaks/Peak2D.d.ts +13 -0
  192. package/lib/types/Peaks/Peak2D.js +3 -0
  193. package/lib/types/Peaks/Peak2D.js.map +1 -0
  194. package/lib/types/Peaks/Peaks.d.ts +5 -0
  195. package/lib/types/Peaks/Peaks.js +3 -0
  196. package/lib/types/Peaks/Peaks.js.map +1 -0
  197. package/lib/types/Ranges/Ranges.d.ts +16 -0
  198. package/lib/types/Ranges/Ranges.js +3 -0
  199. package/lib/types/Ranges/Ranges.js.map +1 -0
  200. package/lib/types/Signals/Signal.d.ts +4 -0
  201. package/lib/types/Signals/Signal.js +3 -0
  202. package/lib/types/Signals/Signal.js.map +1 -0
  203. package/lib/types/Signals/Signal1D.d.ts +6 -0
  204. package/lib/types/Signals/Signal1D.js +3 -0
  205. package/lib/types/Signals/Signal1D.js.map +1 -0
  206. package/lib/types/Signals/Signal2D.d.ts +18 -0
  207. package/lib/types/Signals/Signal2D.js +3 -0
  208. package/lib/types/Signals/Signal2D.js.map +1 -0
  209. package/lib/types/Zones/Zone.d.ts +13 -0
  210. package/lib/types/Zones/Zone.js +3 -0
  211. package/lib/types/Zones/Zone.js.map +1 -0
  212. package/lib/types/Zones/Zones.d.ts +5 -0
  213. package/lib/types/Zones/Zones.js +3 -0
  214. package/lib/types/Zones/Zones.js.map +1 -0
  215. package/lib/types/common/MapOptions.d.ts +5 -0
  216. package/lib/types/common/MapOptions.js +3 -0
  217. package/lib/types/common/MapOptions.js.map +1 -0
  218. package/lib/utilities/checkData2DFid.d.ts +3 -0
  219. package/lib/utilities/checkData2DFid.js +10 -0
  220. package/lib/utilities/checkData2DFid.js.map +1 -0
  221. package/lib/utilities/cloneData1D.d.ts +6 -0
  222. package/lib/utilities/cloneData1D.js +9 -0
  223. package/lib/utilities/cloneData1D.js.map +1 -0
  224. package/lib/utilities/cloneData2D.d.ts +2 -0
  225. package/lib/utilities/cloneData2D.js +28 -0
  226. package/lib/utilities/cloneData2D.js.map +1 -0
  227. package/lib/utilities/getSum.d.ts +8 -0
  228. package/lib/utilities/getSum.js +24 -0
  229. package/lib/utilities/getSum.js.map +1 -0
  230. package/lib/xyz/quadrature.d.ts +7 -0
  231. package/lib/xyz/quadrature.js +54 -0
  232. package/lib/xyz/quadrature.js.map +1 -0
  233. package/lib/xyz/util/fft2d/digitalFilter.d.ts +7 -0
  234. package/lib/xyz/util/fft2d/digitalFilter.js +20 -0
  235. package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -0
  236. package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +24 -0
  237. package/lib/xyz/util/fft2d/fftDirectDimension.js +57 -0
  238. package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
  239. package/lib/xyz/util/fft2d/fftIndirectDimension.d.ts +23 -0
  240. package/lib/xyz/util/fft2d/fftIndirectDimension.js +71 -0
  241. package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
  242. package/lib/xyz/util/fft2d/removeDCOffset.d.ts +5 -0
  243. package/lib/xyz/util/fft2d/removeDCOffset.js +19 -0
  244. package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -0
  245. package/lib/xyz/util/fft2d/zeroFilling.d.ts +10 -0
  246. package/lib/xyz/util/fft2d/zeroFilling.js +29 -0
  247. package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -0
  248. package/lib/xyz/util/padData.d.ts +5 -3
  249. package/lib/xyz/util/padData.js +7 -7
  250. package/lib/xyz/util/padData.js.map +1 -1
  251. package/lib/xyz/xyzAutoSignalsPicking.d.ts +2 -2
  252. package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
  253. package/lib/xyz/xyzAutoZonesPicking.d.ts +2 -8
  254. package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
  255. package/lib/xyz/xyzBidimensionalFFT.d.ts +40 -0
  256. package/lib/xyz/xyzBidimensionalFFT.js +79 -0
  257. package/lib/xyz/xyzBidimensionalFFT.js.map +1 -0
  258. package/lib/xyz/xyzJResAnalyzer.d.ts +1 -4
  259. package/lib/xyz/xyzJResAnalyzer.js +34 -26
  260. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  261. package/lib-esm/apodization/apodization.js +7 -4
  262. package/lib-esm/apodization/apodization.js.map +1 -1
  263. package/lib-esm/apodization/applyWindow.js.map +1 -1
  264. package/lib-esm/apodization/compose.js.map +1 -1
  265. package/lib-esm/apodization/getFunction.js +3 -0
  266. package/lib-esm/apodization/getFunction.js.map +1 -1
  267. package/lib-esm/apodization/shapes/sineBell.js +13 -0
  268. package/lib-esm/apodization/shapes/sineBell.js.map +1 -0
  269. package/lib-esm/apodization/utils/getData.js.map +1 -1
  270. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js +2 -3
  271. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
  272. package/lib-esm/constants/SignalsKinds.js +37 -0
  273. package/lib-esm/constants/SignalsKinds.js.map +1 -0
  274. package/lib-esm/datum/ExclusionZone.js +2 -0
  275. package/lib-esm/datum/ExclusionZone.js.map +1 -0
  276. package/lib-esm/datum/Filters.js +28 -0
  277. package/lib-esm/datum/Filters.js.map +1 -0
  278. package/lib-esm/datum/FiltersManager.js +175 -0
  279. package/lib-esm/datum/FiltersManager.js.map +1 -0
  280. package/lib-esm/datum/MatrixFilter.js +2 -0
  281. package/lib-esm/datum/MatrixFilter.js.map +1 -0
  282. package/lib-esm/datum/MatrixOptions.js +2 -0
  283. package/lib-esm/datum/MatrixOptions.js.map +1 -0
  284. package/lib-esm/datum/data1d/Entry1D.js +2 -0
  285. package/lib-esm/datum/data1d/Entry1D.js.map +1 -0
  286. package/lib-esm/datum/data1d/filter1d/apodization/apodization.js +30 -0
  287. package/lib-esm/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
  288. package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js +33 -0
  289. package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
  290. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +52 -0
  291. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
  292. package/lib-esm/datum/data1d/filter1d/digitalFilter.js +48 -0
  293. package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -0
  294. package/lib-esm/datum/data1d/filter1d/equallySpaced.js +53 -0
  295. package/lib-esm/datum/data1d/filter1d/equallySpaced.js.map +1 -0
  296. package/lib-esm/datum/data1d/filter1d/exclusionZones.js +29 -0
  297. package/lib-esm/datum/data1d/filter1d/exclusionZones.js.map +1 -0
  298. package/lib-esm/datum/data1d/filter1d/fft.js +87 -0
  299. package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -0
  300. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +77 -0
  301. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
  302. package/lib-esm/datum/data1d/filter1d/shiftX.js +27 -0
  303. package/lib-esm/datum/data1d/filter1d/shiftX.js.map +1 -0
  304. package/lib-esm/datum/data1d/filter1d/signalProcessing.js +57 -0
  305. package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -0
  306. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +33 -0
  307. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
  308. package/lib-esm/datum/data1d/filter1d/zeroFilling.js +55 -0
  309. package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -0
  310. package/lib-esm/datum/data1d/utils/RangeUtilities.js +69 -0
  311. package/lib-esm/datum/data1d/utils/RangeUtilities.js.map +1 -0
  312. package/lib-esm/datum/data1d/utils/checkIntegralKind.js +10 -0
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  314. package/lib-esm/datum/data1d/utils/checkRangeKind.js +6 -0
  315. package/lib-esm/datum/data1d/utils/checkRangeKind.js.map +1 -0
  316. package/lib-esm/datum/data1d/utils/getShiftX.js +7 -0
  317. package/lib-esm/datum/data1d/utils/getShiftX.js.map +1 -0
  318. package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js +5 -0
  319. package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
  320. package/lib-esm/datum/data1d/utils/mapIntegrals.js +37 -0
  321. package/lib-esm/datum/data1d/utils/mapIntegrals.js.map +1 -0
  322. package/lib-esm/datum/data1d/utils/mapPeaks.js +46 -0
  323. package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -0
  324. package/lib-esm/datum/data1d/utils/mapRanges.js +79 -0
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  326. package/lib-esm/datum/data1d/utils/mapValues.js +11 -0
  327. package/lib-esm/datum/data1d/utils/mapValues.js.map +1 -0
  328. package/lib-esm/datum/data1d/utils/updateIntegrals.js +7 -0
  329. package/lib-esm/datum/data1d/utils/updateIntegrals.js.map +1 -0
  330. package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js +22 -0
  331. package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
  332. package/lib-esm/datum/data1d/utils/updatePeaks.js +8 -0
  333. package/lib-esm/datum/data1d/utils/updatePeaks.js.map +1 -0
  334. package/lib-esm/datum/data1d/utils/updateRanges.js +10 -0
  335. package/lib-esm/datum/data1d/utils/updateRanges.js.map +1 -0
  336. package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js +22 -0
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  338. package/lib-esm/datum/data2d/Entry2D.js +2 -0
  339. package/lib-esm/datum/data2d/Entry2D.js.map +1 -0
  340. package/lib-esm/datum/data2d/filter2d/shiftX.js +28 -0
  341. package/lib-esm/datum/data2d/filter2d/shiftX.js.map +1 -0
  342. package/lib-esm/datum/data2d/filter2d/shiftY.js +28 -0
  343. package/lib-esm/datum/data2d/filter2d/shiftY.js.map +1 -0
  344. package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js +10 -0
  345. package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
  346. package/lib-esm/datum/data2d/utils/getShift.js +16 -0
  347. package/lib-esm/datum/data2d/utils/getShift.js.map +1 -0
  348. package/lib-esm/datum/data2d/utils/isZoneExists.js +16 -0
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  351. package/lib-esm/datum/data2d/utils/mapZones.js.map +1 -0
  352. package/lib-esm/datum/data2d/utils/updateZones.js +8 -0
  353. package/lib-esm/datum/data2d/utils/updateZones.js.map +1 -0
  354. package/lib-esm/index.js +13 -0
  355. package/lib-esm/index.js.map +1 -1
  356. package/lib-esm/multiplicity/joinPatterns.js +1 -1
  357. package/lib-esm/multiplicity/joinPatterns.js.map +1 -1
  358. package/lib-esm/prediction/utils/getPredictions.js +1 -1
  359. package/lib-esm/prediction/utils/getPredictions.js.map +1 -1
  360. package/lib-esm/signal/signalJoinCouplings.js +2 -2
  361. package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
  362. package/lib-esm/signal/signalMultiplicityPattern.js +1 -1
  363. package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
  364. package/lib-esm/signals/optimization/getInternalSignals.js +3 -5
  365. package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
  366. package/lib-esm/signals/signalsJoin.js +4 -5
  367. package/lib-esm/signals/signalsJoin.js.map +1 -1
  368. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  369. package/lib-esm/signals/signalsToXY.js +2 -3
  370. package/lib-esm/signals/signalsToXY.js.map +1 -1
  371. package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
  372. package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
  373. package/lib-esm/types/Data1D.js +2 -0
  374. package/lib-esm/types/Data1D.js.map +1 -0
  375. package/{lib/xyz → lib-esm/types}/Data2D.js.map +1 -1
  376. package/lib-esm/types/Filter.js +2 -0
  377. package/lib-esm/types/Filter.js.map +1 -0
  378. package/lib-esm/types/Info/Info.js +2 -0
  379. package/lib-esm/types/Info/Info.js.map +1 -0
  380. package/lib-esm/types/Info/Info1D.js +2 -0
  381. package/lib-esm/types/Info/Info1D.js.map +1 -0
  382. package/lib-esm/types/Info/Info2D.js +2 -0
  383. package/lib-esm/types/Info/Info2D.js.map +1 -0
  384. package/lib-esm/types/Integral.js +2 -0
  385. package/lib-esm/types/Integral.js.map +1 -0
  386. package/lib-esm/types/Integrals.js +2 -0
  387. package/lib-esm/types/Integrals.js.map +1 -0
  388. package/lib-esm/types/Options/SumOptions.js +2 -0
  389. package/lib-esm/types/Options/SumOptions.js.map +1 -0
  390. package/lib-esm/types/Peaks/BasePeak.js +2 -0
  391. package/lib-esm/types/Peaks/BasePeak.js.map +1 -0
  392. package/lib-esm/types/Peaks/Peak1D.js +2 -0
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  394. package/lib-esm/types/Peaks/Peak2D.js +2 -0
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  396. package/lib-esm/types/Peaks/Peaks.js +2 -0
  397. package/lib-esm/types/Peaks/Peaks.js.map +1 -0
  398. package/lib-esm/types/Ranges/Ranges.js +2 -0
  399. package/lib-esm/types/Ranges/Ranges.js.map +1 -0
  400. package/lib-esm/types/Signals/Signal.js +2 -0
  401. package/lib-esm/types/Signals/Signal.js.map +1 -0
  402. package/lib-esm/types/Signals/Signal1D.js +2 -0
  403. package/lib-esm/types/Signals/Signal1D.js.map +1 -0
  404. package/lib-esm/types/Signals/Signal2D.js +2 -0
  405. package/lib-esm/types/Signals/Signal2D.js.map +1 -0
  406. package/lib-esm/types/Zones/Zone.js +2 -0
  407. package/lib-esm/types/Zones/Zone.js.map +1 -0
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  410. package/lib-esm/types/common/MapOptions.js +2 -0
  411. package/lib-esm/types/common/MapOptions.js.map +1 -0
  412. package/lib-esm/utilities/checkData2DFid.js +6 -0
  413. package/lib-esm/utilities/checkData2DFid.js.map +1 -0
  414. package/lib-esm/utilities/cloneData1D.js +5 -0
  415. package/lib-esm/utilities/cloneData1D.js.map +1 -0
  416. package/lib-esm/utilities/cloneData2D.js +24 -0
  417. package/lib-esm/utilities/cloneData2D.js.map +1 -0
  418. package/lib-esm/utilities/getSum.js +20 -0
  419. package/lib-esm/utilities/getSum.js.map +1 -0
  420. package/lib-esm/xyz/quadrature.js +50 -0
  421. package/lib-esm/xyz/quadrature.js.map +1 -0
  422. package/lib-esm/xyz/util/fft2d/digitalFilter.js +16 -0
  423. package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -0
  424. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +50 -0
  425. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
  426. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +64 -0
  427. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
  428. package/lib-esm/xyz/util/fft2d/removeDCOffset.js +15 -0
  429. package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -0
  430. package/lib-esm/xyz/util/fft2d/zeroFilling.js +25 -0
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  432. package/lib-esm/xyz/util/padData.js +7 -4
  433. package/lib-esm/xyz/util/padData.js.map +1 -1
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  435. package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
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  437. package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -0
  438. package/lib-esm/xyz/xyzJResAnalyzer.js +34 -26
  439. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  440. package/package.json +8 -5
  441. package/src/apodization/apodization.ts +19 -6
  442. package/src/apodization/applyWindow.ts +0 -1
  443. package/src/apodization/compose.ts +1 -0
  444. package/src/apodization/getFunction.ts +3 -0
  445. package/src/apodization/shapes/WindowFunctions.ts +7 -1
  446. package/src/apodization/shapes/sineBell.ts +41 -0
  447. package/src/apodization/utils/getData.ts +0 -1
  448. package/src/constants/SignalsKinds.ts +37 -0
  449. package/src/datum/ExclusionZone.ts +5 -0
  450. package/src/datum/Filters.ts +53 -0
  451. package/src/datum/FiltersManager.ts +229 -0
  452. package/src/datum/MatrixFilter.ts +58 -0
  453. package/src/datum/MatrixOptions.ts +25 -0
  454. package/src/datum/data1d/Entry1D.ts +18 -0
  455. package/src/datum/data1d/filter1d/apodization/apodization.ts +53 -0
  456. package/src/datum/data1d/filter1d/apodization/apodizationFilter.ts +54 -0
  457. package/src/datum/data1d/filter1d/baselineCorrection.ts +83 -0
  458. package/src/datum/data1d/filter1d/digitalFilter.ts +66 -0
  459. package/src/datum/data1d/filter1d/equallySpaced.ts +66 -0
  460. package/src/datum/data1d/filter1d/exclusionZones.ts +34 -0
  461. package/src/datum/data1d/filter1d/fft.ts +143 -0
  462. package/src/datum/data1d/filter1d/phaseCorrection.ts +127 -0
  463. package/src/datum/data1d/filter1d/shiftX.ts +37 -0
  464. package/src/datum/data1d/filter1d/signalProcessing.ts +79 -0
  465. package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +49 -0
  466. package/src/datum/data1d/filter1d/zeroFilling.ts +93 -0
  467. package/src/datum/data1d/utils/RangeUtilities.ts +102 -0
  468. package/src/datum/data1d/utils/checkIntegralKind.ts +11 -0
  469. package/src/datum/data1d/utils/checkRangeKind.ts +8 -0
  470. package/src/datum/data1d/utils/getShiftX.ts +10 -0
  471. package/src/datum/data1d/utils/getSpectrumErrorValue.ts +6 -0
  472. package/src/datum/data1d/utils/mapIntegrals.ts +52 -0
  473. package/src/datum/data1d/utils/mapPeaks.ts +62 -0
  474. package/src/datum/data1d/utils/mapRanges.ts +107 -0
  475. package/src/datum/data1d/utils/mapValues.ts +18 -0
  476. package/src/datum/data1d/utils/updateIntegrals.ts +13 -0
  477. package/src/datum/data1d/utils/updateIntegralsRelativeValues.ts +36 -0
  478. package/src/datum/data1d/utils/updatePeaks.ts +10 -0
  479. package/src/datum/data1d/utils/updateRanges.ts +12 -0
  480. package/src/datum/data1d/utils/updateRangesRelativeValues.ts +36 -0
  481. package/src/datum/data2d/Entry2D.ts +14 -0
  482. package/src/datum/data2d/filter2d/shiftX.ts +37 -0
  483. package/src/datum/data2d/filter2d/shiftY.ts +36 -0
  484. package/src/datum/data2d/utils/get2DSpectrumErrorValue.ts +18 -0
  485. package/src/datum/data2d/utils/getShift.ts +23 -0
  486. package/src/datum/data2d/utils/isZoneExists.ts +27 -0
  487. package/src/datum/data2d/utils/mapZones.ts +80 -0
  488. package/src/datum/data2d/utils/updateZones.ts +10 -0
  489. package/src/index.ts +32 -0
  490. package/src/signal/signalJoinCouplings.ts +2 -2
  491. package/src/signals/signalsJoin.ts +4 -5
  492. package/src/signals/signalsToRanges.ts +1 -1
  493. package/src/signals/signalsToXY.ts +2 -3
  494. package/src/signals/simulation/simulateXYPeaks.ts +1 -1
  495. package/src/signals/utils/jAnalyzer.ts +20 -10
  496. package/src/types/Data1D.ts +5 -0
  497. package/src/types/Data2D.ts +7 -0
  498. package/src/types/Filter.ts +12 -0
  499. package/src/types/Info/Info.ts +15 -0
  500. package/src/types/Info/Info1D.ts +14 -0
  501. package/src/types/Info/Info2D.ts +11 -0
  502. package/src/types/Integral.ts +10 -0
  503. package/src/types/Integrals.ts +7 -0
  504. package/src/types/Options/SumOptions.ts +24 -0
  505. package/src/types/Peaks/BasePeak.ts +3 -0
  506. package/src/types/Peaks/Peak1D.ts +7 -0
  507. package/src/types/Peaks/Peak2D.ts +11 -0
  508. package/src/types/Peaks/Peaks.ts +6 -0
  509. package/src/types/Ranges/Ranges.ts +18 -0
  510. package/src/types/Signals/Signal.ts +4 -0
  511. package/src/types/Signals/Signal1D.ts +8 -0
  512. package/src/types/Signals/Signal2D.ts +21 -0
  513. package/src/types/Zones/Zone.ts +15 -0
  514. package/src/types/Zones/Zones.ts +6 -0
  515. package/src/types/common/MapOptions.ts +6 -0
  516. package/src/utilities/checkData2DFid.ts +10 -0
  517. package/src/utilities/cloneData1D.ts +6 -0
  518. package/src/utilities/cloneData2D.ts +27 -0
  519. package/src/utilities/getSum.ts +23 -0
  520. package/src/xyz/quadrature.ts +68 -0
  521. package/src/xyz/util/fft2d/digitalFilter.ts +24 -0
  522. package/src/xyz/util/fft2d/fftDirectDimension.ts +111 -0
  523. package/src/xyz/util/fft2d/fftIndirectDimension.ts +123 -0
  524. package/src/xyz/util/fft2d/removeDCOffset.ts +19 -0
  525. package/src/xyz/util/fft2d/zeroFilling.ts +39 -0
  526. package/src/xyz/util/padData.ts +13 -7
  527. package/src/xyz/xyzAutoSignalsPicking.ts +2 -2
  528. package/src/xyz/xyzAutoZonesPicking.ts +3 -9
  529. package/src/xyz/xyzBidimensionalFFT.ts +122 -0
  530. package/src/xyz/xyzJResAnalyzer.ts +51 -42
  531. package/lib/prediction/utils/flatGroupedDiaIDs.d.ts +0 -2
  532. package/lib/prediction/utils/flatGroupedDiaIDs.js +0 -14
  533. package/lib/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
  534. package/lib/xyz/Data2D.d.ts +0 -7
  535. package/lib-esm/prediction/utils/flatGroupedDiaIDs.js +0 -10
  536. package/lib-esm/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
  537. package/src/assignment/utils/getAssignment/data/correlations.js +0 -713
  538. package/src/assignment/utils/getAssignment/data/predictions.js +0 -34
  539. package/src/nmr-parser.d.ts +0 -17
  540. package/src/prediction/utils/flatGroupedDiaIDs.ts +0 -11
  541. package/src/xyz/Data2D.ts +0 -7
  542. /package/lib/{xyz → types}/Data2D.js +0 -0
  543. /package/lib-esm/{xyz → types}/Data2D.js +0 -0
@@ -0,0 +1,28 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.cloneData2D = void 0;
4
+ function cloneData2D(data) {
5
+ const newData = {};
6
+ if (isData2DFt(data)) {
7
+ for (const key in data) {
8
+ addCloneData(newData, key, data[key]);
9
+ }
10
+ }
11
+ else {
12
+ for (const key in data) {
13
+ addCloneData(newData, key, data[key]);
14
+ }
15
+ }
16
+ return newData;
17
+ }
18
+ exports.cloneData2D = cloneData2D;
19
+ function isData2DFt(data) {
20
+ return 're' in data;
21
+ }
22
+ function addCloneData(newData, key, data) {
23
+ if (data) {
24
+ const { z, ...other } = data;
25
+ newData[key] = { z: z.slice(), ...other };
26
+ }
27
+ }
28
+ //# sourceMappingURL=cloneData2D.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"cloneData2D.js","sourceRoot":"","sources":["../../src/utilities/cloneData2D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,IAAY;IACtC,MAAM,OAAO,GAAQ,EAAE,CAAC;IAExB,IAAI,UAAU,CAAC,IAAI,CAAC,EAAE;QACpB,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAqB,CAAC,CAAC,CAAC;SACzD;KACF;SAAM;QACL,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAsB,CAAC,CAAC,CAAC;SAC1D;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,kCAaC;AAED,SAAS,UAAU,CAAC,IAAY;IAC9B,OAAO,IAAI,IAAI,IAAI,CAAC;AACtB,CAAC;AAED,SAAS,YAAY,CAAC,OAAY,EAAE,GAAW,EAAE,IAAoB;IACnE,IAAI,IAAI,EAAE;QACR,MAAM,EAAE,CAAC,EAAE,GAAG,KAAK,EAAE,GAAG,IAAI,CAAC;QAC7B,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,EAAE,CAAC,CAAC,KAAK,EAAE,EAAE,GAAG,KAAK,EAAE,CAAC;KAC3C;AACH,CAAC"}
@@ -0,0 +1,8 @@
1
+ /**
2
+ * Sum values for specific key in the object
3
+ * @param values array of object
4
+ * @param key key
5
+ * @param check custom check function to to indicate if certain object included or not in the summation
6
+ * @returns number
7
+ */
8
+ export declare function getSum<Type extends object>(values: Type[], key: keyof Type, check?: ((value: Type) => boolean) | null): number;
@@ -0,0 +1,24 @@
1
+ "use strict";
2
+ /**
3
+ * Sum values for specific key in the object
4
+ * @param values array of object
5
+ * @param key key
6
+ * @param check custom check function to to indicate if certain object included or not in the summation
7
+ * @returns number
8
+ */
9
+ Object.defineProperty(exports, "__esModule", { value: true });
10
+ exports.getSum = void 0;
11
+ function getSum(values, key, check = null) {
12
+ let sum = 0;
13
+ for (const current of values) {
14
+ if (check?.(current)) {
15
+ const value = current[key];
16
+ if (!value || isNaN(value))
17
+ continue;
18
+ sum += Math.abs(value);
19
+ }
20
+ }
21
+ return sum;
22
+ }
23
+ exports.getSum = getSum;
24
+ //# sourceMappingURL=getSum.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"getSum.js","sourceRoot":"","sources":["../../src/utilities/getSum.ts"],"names":[],"mappings":";AAAA;;;;;;GAMG;;;AAEH,SAAgB,MAAM,CACpB,MAAc,EACd,GAAe,EACf,QAA2C,IAAI;IAE/C,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,MAAM,OAAO,IAAI,MAAM,EAAE;QAC5B,IAAI,KAAK,EAAE,CAAC,OAAO,CAAC,EAAE;YACpB,MAAM,KAAK,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC;YAC3B,IAAI,CAAC,KAAK,IAAI,KAAK,CAAC,KAAK,CAAC;gBAAE,SAAS;YACrC,GAAG,IAAI,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;SACxB;KACF;IACD,OAAO,GAAG,CAAC;AACb,CAAC;AAdD,wBAcC"}
@@ -0,0 +1,7 @@
1
+ import { Data2D, DoubleArray } from 'cheminfo-types';
2
+ export declare function quadrature(data: Data2D, options: {
3
+ fnMode: string;
4
+ }): {
5
+ re: DoubleArray[];
6
+ im: DoubleArray[];
7
+ };
@@ -0,0 +1,54 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.quadrature = void 0;
4
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
5
+ const checkData2DFid_1 = require("../utilities/checkData2DFid");
6
+ function quadrature(data, options) {
7
+ (0, checkData2DFid_1.checkData2DFid)(data);
8
+ const { fnMode } = options;
9
+ switch (fnMode) {
10
+ case 'ttpi':
11
+ return ttpiQuadrature(data);
12
+ case 'states':
13
+ return shrQuadrature(data);
14
+ case 'echo':
15
+ return echoQuadrature(data);
16
+ default:
17
+ return {
18
+ re: data.re.z,
19
+ im: data.im.z,
20
+ };
21
+ }
22
+ }
23
+ exports.quadrature = quadrature;
24
+ function echoQuadrature(data) {
25
+ const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
26
+ const newRe = [];
27
+ const newIm = [];
28
+ for (let i = 0; i < reMatrix.length; i += 2) {
29
+ let reCosine = reMatrix[i];
30
+ let imCosine = imMatrix[i];
31
+ let reSine = reMatrix[i + 1];
32
+ let imSine = imMatrix[i + 1];
33
+ newRe.push((0, ml_spectra_processing_1.xSubtract)((0, ml_spectra_processing_1.xMultiply)(imSine, -1), imCosine));
34
+ newRe.push((0, ml_spectra_processing_1.xSubtract)(reSine, reCosine));
35
+ newIm.push((0, ml_spectra_processing_1.xAdd)(reSine, reCosine));
36
+ newIm.push((0, ml_spectra_processing_1.xSubtract)(imSine, imCosine));
37
+ }
38
+ return { re: newRe, im: newIm };
39
+ }
40
+ function shrQuadrature(data) {
41
+ const { re, im } = data;
42
+ return { re: re.z, im: im.z };
43
+ }
44
+ function ttpiQuadrature(data) {
45
+ const newRe = [];
46
+ const newIm = [];
47
+ const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
48
+ for (let i = 0; i < reMatrix.length; i++) {
49
+ newRe.push(i % 2 ? reMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(reMatrix[i], -1));
50
+ newIm.push(i % 2 ? imMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(imMatrix[i], -1));
51
+ }
52
+ return { re: newRe, im: newIm };
53
+ }
54
+ //# sourceMappingURL=quadrature.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"quadrature.js","sourceRoot":"","sources":["../../src/xyz/quadrature.ts"],"names":[],"mappings":";;;AACA,iEAAmE;AAEnE,gEAAgF;AAEhF,SAAgB,UAAU,CAAC,IAAY,EAAE,OAA2B;IAClE,IAAA,+BAAc,EAAC,IAAI,CAAC,CAAC;IAErB,MAAM,EAAE,MAAM,EAAE,GAAG,OAAO,CAAC;IAE3B,QAAQ,MAAM,EAAE;QACd,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B,KAAK,QAAQ;YACX,OAAO,aAAa,CAAC,IAAI,CAAC,CAAC;QAC7B,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B;YACE,OAAO;gBACL,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;gBACb,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;aACd,CAAC;KACL;AACH,CAAC;AAlBD,gCAkBC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IAET,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;QAC3C,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAC7B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAE7B,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,CAAC;QACvD,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACxC,KAAK,CAAC,IAAI,CAAC,IAAA,4BAAI,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACnC,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;KACzC;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AAED,SAAS,aAAa,CAAC,IAAuB;IAC5C,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IACxB,OAAO,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,CAAC;AAChC,CAAC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAEhC,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IACT,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACxC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QACrE,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;KACtE;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
@@ -0,0 +1,7 @@
1
+ import { DataReIm } from 'ml-spectra-processing';
2
+ export declare function digitalFilter(data: DataReIm, options: {
3
+ digitalFilterValue: number;
4
+ }): {
5
+ re: Float64Array;
6
+ im: Float64Array;
7
+ };
@@ -0,0 +1,20 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.digitalFilter = void 0;
4
+ function digitalFilter(data, options) {
5
+ let { digitalFilterValue = 0 } = options;
6
+ let re = new Float64Array(data.re);
7
+ let im = new Float64Array(data.im);
8
+ let pointsToShift = Math.floor(digitalFilterValue);
9
+ const skip = 0;
10
+ pointsToShift += 0;
11
+ const newRe = new Float64Array(re.length);
12
+ const newIm = new Float64Array(im.length);
13
+ newRe.set(re.slice(pointsToShift));
14
+ newRe.set(re.slice(skip, pointsToShift), re.length - pointsToShift);
15
+ newIm.set(im.slice(pointsToShift));
16
+ newIm.set(im.slice(skip, pointsToShift), im.length - pointsToShift);
17
+ return { re: newRe, im: newIm };
18
+ }
19
+ exports.digitalFilter = digitalFilter;
20
+ //# sourceMappingURL=digitalFilter.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/digitalFilter.ts"],"names":[],"mappings":";;;AAEA,SAAgB,aAAa,CAC3B,IAAc,EACd,OAAuC;IAEvC,IAAI,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IACzC,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACnC,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAEnC,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,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AArBD,sCAqBC"}
@@ -0,0 +1,24 @@
1
+ import { DoubleArray } from 'cheminfo-types';
2
+ import Matrix from 'ml-matrix';
3
+ import { ApodizationFilterOptions } from '../../../apodization/apodization';
4
+ import { ZeroFillingOptions } from './zeroFilling';
5
+ interface PhaseCorrection {
6
+ mode?: string;
7
+ ph0?: number;
8
+ ph1?: number;
9
+ }
10
+ export interface DirectDimensionOptions {
11
+ fnMode?: string;
12
+ digitalFilterValue?: number;
13
+ zeroFilling?: ZeroFillingOptions;
14
+ apodization?: ApodizationFilterOptions;
15
+ phaseCorrection?: PhaseCorrection;
16
+ }
17
+ export declare function fftDirectDimension(data: {
18
+ re: DoubleArray[];
19
+ im: DoubleArray[];
20
+ }, options: DirectDimensionOptions): {
21
+ re: Matrix;
22
+ im: Matrix;
23
+ };
24
+ export {};
@@ -0,0 +1,57 @@
1
+ "use strict";
2
+ var __importDefault = (this && this.__importDefault) || function (mod) {
3
+ return (mod && mod.__esModule) ? mod : { "default": mod };
4
+ };
5
+ Object.defineProperty(exports, "__esModule", { value: true });
6
+ exports.fftDirectDimension = void 0;
7
+ const ml_matrix_1 = __importDefault(require("ml-matrix"));
8
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
9
+ const apodization_1 = require("../../../apodization/apodization");
10
+ const digitalFilter_1 = require("./digitalFilter");
11
+ const removeDCOffset_1 = require("./removeDCOffset");
12
+ const zeroFilling_1 = require("./zeroFilling");
13
+ function fftDirectDimension(data, options) {
14
+ const { re: reData, im: imData } = data;
15
+ const nbRows = reData.length;
16
+ const nbColumns = reData[0].length;
17
+ const { zeroFilling: zeroFillingF2, digitalFilterValue = 0 } = options;
18
+ const { factor: f2Factor = 2 } = zeroFillingF2 || {};
19
+ const nbPointsF2 = zeroFillingF2?.nbPoints || 2 ** Math.round(Math.log2(nbColumns * f2Factor));
20
+ const reFFT = new ml_matrix_1.default(nbRows, nbPointsF2);
21
+ const imFFT = new ml_matrix_1.default(nbRows, nbPointsF2);
22
+ const { apodization: apodizationF2 } = options;
23
+ let { ph0: ph0F2, ph1: ph1F2, mode: pcModeF2 = 'no', } = options?.phaseCorrection || {};
24
+ for (let i = 0; i < nbRows; i++) {
25
+ const newData = (0, digitalFilter_1.digitalFilter)({ re: reData[i], im: imData[i] }, { digitalFilterValue });
26
+ Object.assign(newData, (0, removeDCOffset_1.removeDCOffset)(newData, { digitalFilterValue }));
27
+ if (apodizationF2) {
28
+ const { re: aRe, im: aIm } = (0, apodization_1.apodization)(newData, apodizationF2);
29
+ Object.assign(newData, { re: aRe, im: aIm });
30
+ }
31
+ Object.assign(newData, (0, zeroFilling_1.zeroFilling)(newData, { digitalFilterValue, nbPoints: nbPointsF2 }));
32
+ Object.assign(newData, (0, ml_spectra_processing_1.reimFFT)(newData, { applyZeroShift: true }));
33
+ const dfResidual = (digitalFilterValue - Math.round(digitalFilterValue)) * Math.PI * 2;
34
+ if (dfResidual > 0) {
35
+ Object.assign(newData, (0, ml_spectra_processing_1.reimPhaseCorrection)(newData, 0, -dfResidual));
36
+ }
37
+ if (i === 0 &&
38
+ pcModeF2 === 'pk' &&
39
+ ph0F2 === undefined &&
40
+ ph1F2 === undefined) {
41
+ const phased = (0, ml_spectra_processing_1.reimAutoPhaseCorrection)(newData, { magnitudeMode: false });
42
+ ph0F2 = phased.ph0;
43
+ ph1F2 = phased.ph1;
44
+ }
45
+ if (pcModeF2 === 'pk' && ph0F2 !== undefined && ph1F2 !== undefined) {
46
+ Object.assign(newData, (0, ml_spectra_processing_1.reimPhaseCorrection)(newData, (ph0F2 * Math.PI) / 180, (ph1F2 * Math.PI) / 180));
47
+ }
48
+ reFFT.setRow(i, newData.re);
49
+ imFFT.setRow(i, newData.im);
50
+ }
51
+ return {
52
+ re: reFFT,
53
+ im: imFFT,
54
+ };
55
+ }
56
+ exports.fftDirectDimension = fftDirectDimension;
57
+ //# sourceMappingURL=fftDirectDimension.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"fftDirectDimension.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/fftDirectDimension.ts"],"names":[],"mappings":";;;;;;AACA,0DAA+B;AAC/B,iEAI+B;AAE/B,kEAG0C;AAE1C,mDAAgD;AAChD,qDAAkD;AAClD,+CAAgE;AAgBhE,SAAgB,kBAAkB,CAChC,IAA8C,EAC9C,OAA+B;IAE/B,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,GAAG,IAAI,CAAC;IACxC,MAAM,MAAM,GAAG,MAAM,CAAC,MAAM,CAAC;IAC7B,MAAM,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAEnC,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAEvE,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,SAAS,GAAG,QAAQ,CAAC,CAAC,CAAC;IAE9E,MAAM,KAAK,GAAG,IAAI,mBAAM,CAAC,MAAM,EAAE,UAAU,CAAC,CAAC;IAC7C,MAAM,KAAK,GAAG,IAAI,mBAAM,CAAC,MAAM,EAAE,UAAU,CAAC,CAAC;IAE7C,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,IAAI,EACF,GAAG,EAAE,KAAK,EACV,GAAG,EAAE,KAAK,EACV,IAAI,EAAE,QAAQ,GAAG,IAAI,GACtB,GAAG,OAAO,EAAE,eAAe,IAAI,EAAE,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,EAAE,CAAC,EAAE,EAAE;QAC/B,MAAM,OAAO,GAAG,IAAA,6BAAa,EAC3B,EAAE,EAAE,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,EAChC,EAAE,kBAAkB,EAAE,CACvB,CAAC;QAEF,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,+BAAc,EAAC,OAAO,EAAE,EAAE,kBAAkB,EAAE,CAAC,CAAC,CAAC;QAExE,IAAI,aAAa,EAAE;YACjB,MAAM,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,GAAG,IAAA,yBAAW,EAAC,OAAO,EAAE,aAAa,CAAC,CAAC;YACjE,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,CAAC,CAAC;SAC9C;QAED,MAAM,CAAC,MAAM,CACX,OAAO,EACP,IAAA,yBAAW,EAAC,OAAO,EAAE,EAAE,kBAAkB,EAAE,QAAQ,EAAE,UAAU,EAAE,CAAC,CACnE,CAAC;QAEF,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,+BAAO,EAAC,OAAO,EAAE,EAAE,cAAc,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC;QAEnE,MAAM,UAAU,GACd,CAAC,kBAAkB,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;QACtE,IAAI,UAAU,GAAG,CAAC,EAAE;YAClB,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,2CAAmB,EAAC,OAAO,EAAE,CAAC,EAAE,CAAC,UAAU,CAAC,CAAC,CAAC;SACtE;QAED,IACE,CAAC,KAAK,CAAC;YACP,QAAQ,KAAK,IAAI;YACjB,KAAK,KAAK,SAAS;YACnB,KAAK,KAAK,SAAS,EACnB;YACA,MAAM,MAAM,GAAG,IAAA,+CAAuB,EAAC,OAAO,EAAE,EAAE,aAAa,EAAE,KAAK,EAAE,CAAC,CAAC;YAC1E,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;YACnB,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;SACpB;QACD,IAAI,QAAQ,KAAK,IAAI,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;YACnE,MAAM,CAAC,MAAM,CACX,OAAO,EACP,IAAA,2CAAmB,EACjB,OAAO,EACP,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACvB,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,CACxB,CACF,CAAC;SACH;QAED,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,OAAO,CAAC,EAAE,CAAC,CAAC;QAC5B,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,OAAO,CAAC,EAAE,CAAC,CAAC;KAC7B;IAED,OAAO;QACL,EAAE,EAAE,KAAK;QACT,EAAE,EAAE,KAAK;KACV,CAAC;AACJ,CAAC;AA/ED,gDA+EC"}
@@ -0,0 +1,23 @@
1
+ import { DoubleArray } from 'cheminfo-types';
2
+ import Matrix from 'ml-matrix';
3
+ import { ApodizationFilterOptions } from '../../../apodization/apodization';
4
+ import { ZeroFillingOptions } from './zeroFilling';
5
+ interface PhaseCorrection {
6
+ mode?: string;
7
+ ph0?: number;
8
+ ph1?: number;
9
+ }
10
+ export interface IndirectDimensionOptions {
11
+ fnMode?: string;
12
+ zeroFilling?: ZeroFillingOptions;
13
+ apodization?: ApodizationFilterOptions;
14
+ phaseCorrection?: PhaseCorrection;
15
+ }
16
+ export declare function fftIndirectDimension(data: {
17
+ re: DoubleArray[] | Matrix;
18
+ im: DoubleArray[] | Matrix;
19
+ }, options: IndirectDimensionOptions): {
20
+ re: Matrix;
21
+ im: Matrix;
22
+ };
23
+ export {};
@@ -0,0 +1,71 @@
1
+ "use strict";
2
+ var __importDefault = (this && this.__importDefault) || function (mod) {
3
+ return (mod && mod.__esModule) ? mod : { "default": mod };
4
+ };
5
+ Object.defineProperty(exports, "__esModule", { value: true });
6
+ exports.fftIndirectDimension = void 0;
7
+ const ml_matrix_1 = __importDefault(require("ml-matrix"));
8
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
9
+ const apodization_1 = require("../../../apodization/apodization");
10
+ const zeroFilling_1 = require("./zeroFilling");
11
+ function fftIndirectDimension(data, options) {
12
+ const reData = ml_matrix_1.default.checkMatrix(data.re);
13
+ const imData = ml_matrix_1.default.checkMatrix(data.im);
14
+ const nbRows = reData.rows;
15
+ const nbColumns = reData.columns;
16
+ const { zeroFilling: zeroFillingF1 } = options;
17
+ const { factor: f1Factor = 2 } = zeroFillingF1 || {};
18
+ const nbPointsF1 = zeroFillingF1?.nbPoints || 2 ** Math.round(Math.log2(nbRows * f1Factor));
19
+ const { apodization: apodizationF1 } = options;
20
+ let { ph0: ph0F1, ph1: ph1F1, mode: pcModeF1, } = options.phaseCorrection || {};
21
+ const reResult = new ml_matrix_1.default(nbPointsF1, nbColumns);
22
+ const imResult = new ml_matrix_1.default(nbPointsF1, nbColumns);
23
+ for (let i = 0; i < nbColumns; i++) {
24
+ const { re: aRe, im: aIm } = (0, apodization_1.apodization)({
25
+ re: reData.getColumn(i),
26
+ im: imData.getColumn(i),
27
+ }, apodizationF1);
28
+ const newRe = [];
29
+ const newIm = [];
30
+ if (options.fnMode === 'echo') {
31
+ for (let j = 0; j < aRe.length; j += 2) {
32
+ newRe.push(aRe[j]);
33
+ newIm.push(aRe[j + 1]);
34
+ }
35
+ }
36
+ else {
37
+ for (let j = 0; j < aRe.length; j++) {
38
+ newRe.push(aRe[j]);
39
+ newIm.push(-aIm[j]);
40
+ }
41
+ }
42
+ let transformed = (0, ml_spectra_processing_1.reimFFT)((0, zeroFilling_1.zeroFilling)({
43
+ re: newRe,
44
+ im: newIm,
45
+ }, { digitalFilterValue: 0, nbPoints: nbPointsF1 }), { applyZeroShift: true });
46
+ let { re, im } = transformed;
47
+ if (options.phaseCorrection?.mode === 'mc') {
48
+ re = (0, ml_spectra_processing_1.reimAbsolute)({ re, im });
49
+ im = new Float64Array(im.length);
50
+ }
51
+ if (pcModeF1 === 'pk') {
52
+ if (i === 0 && ph0F1 === undefined && ph1F1 === undefined) {
53
+ //here we can improve it by checking if the experiment is phase sensitive.
54
+ const phased = (0, ml_spectra_processing_1.reimAutoPhaseCorrection)({ re, im }, { magnitudeMode: false });
55
+ ph0F1 = phased.ph0;
56
+ ph1F1 = phased.ph1;
57
+ }
58
+ if (ph0F1 !== undefined && ph1F1 !== undefined) {
59
+ Object.assign(transformed, (0, ml_spectra_processing_1.reimPhaseCorrection)(transformed, (ph0F1 * Math.PI) / 180, (ph1F1 * Math.PI) / 180));
60
+ }
61
+ }
62
+ reResult.setColumn(i, re);
63
+ imResult.setColumn(i, im);
64
+ }
65
+ return {
66
+ re: reResult,
67
+ im: imResult,
68
+ };
69
+ }
70
+ exports.fftIndirectDimension = fftIndirectDimension;
71
+ //# sourceMappingURL=fftIndirectDimension.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"fftIndirectDimension.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/fftIndirectDimension.ts"],"names":[],"mappings":";;;;;;AACA,0DAA+B;AAC/B,iEAK+B;AAE/B,kEAG0C;AAE1C,+CAAgE;AAehE,SAAgB,oBAAoB,CAClC,IAAgE,EAChE,OAAiC;IAEjC,MAAM,MAAM,GAAG,mBAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC3C,MAAM,MAAM,GAAG,mBAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE3C,MAAM,MAAM,GAAG,MAAM,CAAC,IAAI,CAAC;IAC3B,MAAM,SAAS,GAAG,MAAM,CAAC,OAAO,CAAC;IAEjC,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC;IAC3E,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,IAAI,EACF,GAAG,EAAE,KAAK,EACV,GAAG,EAAE,KAAK,EACV,IAAI,EAAE,QAAQ,GACf,GAAG,OAAO,CAAC,eAAe,IAAI,EAAE,CAAC;IAElC,MAAM,QAAQ,GAAG,IAAI,mBAAM,CAAC,UAAU,EAAE,SAAS,CAAC,CAAC;IACnD,MAAM,QAAQ,GAAG,IAAI,mBAAM,CAAC,UAAU,EAAE,SAAS,CAAC,CAAC;IACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;QAClC,MAAM,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,GAAG,IAAA,yBAAW,EACtC;YACE,EAAE,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC;YACvB,EAAE,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC;SACxB,EACD,aAAa,CACd,CAAC;QAEF,MAAM,KAAK,GAAG,EAAE,CAAC;QACjB,MAAM,KAAK,GAAG,EAAE,CAAC;QACjB,IAAI,OAAO,CAAC,MAAM,KAAK,MAAM,EAAE;YAC7B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;gBACtC,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;aACxB;SACF;aAAM;YACL,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACnC,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;aACrB;SACF;QAED,IAAI,WAAW,GAAG,IAAA,+BAAO,EACvB,IAAA,yBAAW,EACT;YACE,EAAE,EAAE,KAAK;YACT,EAAE,EAAE,KAAK;SACV,EACD,EAAE,kBAAkB,EAAE,CAAC,EAAE,QAAQ,EAAE,UAAU,EAAE,CAChD,EACD,EAAE,cAAc,EAAE,IAAI,EAAE,CACzB,CAAC;QACF,IAAI,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,WAAW,CAAC;QAE7B,IAAI,OAAO,CAAC,eAAe,EAAE,IAAI,KAAK,IAAI,EAAE;YAC1C,EAAE,GAAG,IAAA,oCAAY,EAAC,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;YAC9B,EAAE,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;SAClC;QAED,IAAI,QAAQ,KAAK,IAAI,EAAE;YACrB,IAAI,CAAC,KAAK,CAAC,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;gBACzD,0EAA0E;gBAC1E,MAAM,MAAM,GAAG,IAAA,+CAAuB,EACpC,EAAE,EAAE,EAAE,EAAE,EAAE,EACV,EAAE,aAAa,EAAE,KAAK,EAAE,CACzB,CAAC;gBACF,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;gBACnB,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;aACpB;YACD,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;gBAC9C,MAAM,CAAC,MAAM,CACX,WAAW,EACX,IAAA,2CAAmB,EACjB,WAAW,EACX,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACvB,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,CACxB,CACF,CAAC;aACH;SACF;QAED,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;QAC1B,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;KAC3B;IAED,OAAO;QACL,EAAE,EAAE,QAAQ;QACZ,EAAE,EAAE,QAAQ;KACb,CAAC;AACJ,CAAC;AA7FD,oDA6FC"}
@@ -0,0 +1,5 @@
1
+ import { DataReIm } from 'ml-spectra-processing';
2
+ export declare function removeDCOffset(data: DataReIm, options: any): {
3
+ re: Float64Array;
4
+ im: Float64Array;
5
+ };
@@ -0,0 +1,19 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.removeDCOffset = void 0;
4
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
5
+ function removeDCOffset(data, options) {
6
+ let { digitalFilterValue = 0 } = options;
7
+ const nbPoints = data.re.length;
8
+ const newRe = new Float64Array(data.re);
9
+ const newIm = new Float64Array(data.im);
10
+ const averageRe = (0, ml_spectra_processing_1.xMean)(data.re.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilterValue));
11
+ const averageIm = (0, ml_spectra_processing_1.xMean)(data.im.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilterValue));
12
+ for (let i = digitalFilterValue; i < nbPoints - digitalFilterValue; i++) {
13
+ newRe[i] -= averageRe;
14
+ newIm[i] -= averageIm;
15
+ }
16
+ return { re: newRe, im: newIm };
17
+ }
18
+ exports.removeDCOffset = removeDCOffset;
19
+ //# sourceMappingURL=removeDCOffset.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"removeDCOffset.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/removeDCOffset.ts"],"names":[],"mappings":";;;AAAA,iEAAwD;AAExD,SAAgB,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,IAAA,6BAAK,EACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,kBAAkB,CAAC,CACrE,CAAC;IACF,MAAM,SAAS,GAAG,IAAA,6BAAK,EACrB,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;AAhBD,wCAgBC"}
@@ -0,0 +1,10 @@
1
+ import { DataReIm } from 'ml-spectra-processing';
2
+ export interface ZeroFillingOptions {
3
+ nbPoints?: number;
4
+ factor?: number;
5
+ digitalFilterValue?: number;
6
+ }
7
+ export declare function zeroFilling(data: DataReIm, options: ZeroFillingOptions): {
8
+ re: Float64Array;
9
+ im: Float64Array;
10
+ };
@@ -0,0 +1,29 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.zeroFilling = void 0;
4
+ function zeroFilling(data, options) {
5
+ let { nbPoints, factor = 2, digitalFilterValue: grpdly = 0 } = options;
6
+ if (!nbPoints) {
7
+ nbPoints = 2 ** Math.round(Math.log2(data.re.length * factor));
8
+ }
9
+ let pointsToShift;
10
+ if (grpdly > 0) {
11
+ pointsToShift = Math.floor(grpdly);
12
+ }
13
+ else {
14
+ pointsToShift = 0;
15
+ }
16
+ const { re, im } = data;
17
+ let newRE = new Float64Array(nbPoints);
18
+ let newIM = new Float64Array(nbPoints);
19
+ const length = Math.min(nbPoints, re.length);
20
+ newRE.set(re.slice(0, length - pointsToShift));
21
+ newIM.set(im.slice(0, length - pointsToShift));
22
+ if (pointsToShift > 0 && pointsToShift < nbPoints) {
23
+ newRE.set(re.slice(re.length - pointsToShift), nbPoints - pointsToShift);
24
+ newIM.set(im.slice(re.length - pointsToShift), nbPoints - pointsToShift);
25
+ }
26
+ return { re: newRE, im: newIM };
27
+ }
28
+ exports.zeroFilling = zeroFilling;
29
+ //# sourceMappingURL=zeroFilling.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"zeroFilling.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/zeroFilling.ts"],"names":[],"mappings":";;;AAQA,SAAgB,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;AA9BD,kCA8BC"}
@@ -1,10 +1,12 @@
1
- import { Data2D } from '../Data2D';
2
- export declare function padData(spectraData: Data2D, options: {
1
+ import { MinMaxContent } from 'cheminfo-types';
2
+ export declare function padData(spectraData: MinMaxContent, options: {
3
3
  width: number;
4
4
  }): {
5
- z: number[][];
5
+ z: Float64Array[];
6
6
  minX: number;
7
7
  maxX: number;
8
8
  minY: number;
9
9
  maxY: number;
10
+ minZ: number;
11
+ maxZ: number;
10
12
  };
@@ -1,10 +1,6 @@
1
1
  "use strict";
2
- var __importDefault = (this && this.__importDefault) || function (mod) {
3
- return (mod && mod.__esModule) ? mod : { "default": mod };
4
- };
5
2
  Object.defineProperty(exports, "__esModule", { value: true });
6
3
  exports.padData = void 0;
7
- const ml_matrix_1 = __importDefault(require("ml-matrix"));
8
4
  function padData(spectraData, options) {
9
5
  let { minX, maxX, minY, maxY } = spectraData;
10
6
  const width = options.width;
@@ -20,14 +16,18 @@ function padData(spectraData, options) {
20
16
  yDiff++;
21
17
  let xOffset = xDiff / 2;
22
18
  let yOffset = yDiff / 2;
23
- let newMatrix = ml_matrix_1.default.zeros(nbSubSpectra + yDiff, nbPoints + xDiff);
19
+ const newMatrix = [];
20
+ for (let i = 0; i < nbSubSpectra + yDiff; i++) {
21
+ newMatrix.push(new Float64Array(nbPoints + xDiff));
22
+ }
24
23
  for (let i = 0; i < nbSubSpectra; i++) {
25
24
  for (let j = 0; j < nbPoints; j++) {
26
- newMatrix.set(i + yOffset, j + xOffset, spectraData.z[i][j]);
25
+ newMatrix[i + yOffset].set(spectraData.z[i], xOffset);
27
26
  }
28
27
  }
29
28
  return {
30
- z: newMatrix.to2DArray(),
29
+ ...spectraData,
30
+ z: newMatrix,
31
31
  minX: minX - xOffset * xInterval,
32
32
  maxX: maxX + xOffset * xInterval,
33
33
  minY: minY - yOffset * yInterval,
@@ -1 +1 @@
1
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1
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@@ -1,8 +1,8 @@
1
+ import { MinMaxContent } from 'cheminfo-types';
1
2
  import * as matrixPeakFinders from 'ml-matrix-peaks-finder';
2
3
  import type { Peak2D } from 'ml-matrix-peaks-finder';
3
4
  import type { GetKernelOptions } from '../peaks/util/getKernel';
4
5
  import { MakeMandatory } from '../utilities/MakeMandatory';
5
- import { Data2D } from './Data2D';
6
6
  import type { NMRSignal2D } from './NMRSignal2D';
7
7
  export interface XYZAutoSignalsPickingOptions {
8
8
  /**
@@ -60,7 +60,7 @@ export interface XYZAutoSignalsPickingOptions {
60
60
  kernel?: GetKernelOptions;
61
61
  }
62
62
  export type NMRSignal2DWithID<T extends Peak2D = Peak2D> = MakeMandatory<NMRSignal2D<T>, 'id'>;
63
- export declare function xyzAutoSignalsPicking(spectraData: Data2D, options: XYZAutoSignalsPickingOptions): NMRSignal2DWithID<matrixPeakFinders.Peak2D & {
63
+ export declare function xyzAutoSignalsPicking(spectraData: MinMaxContent, options: XYZAutoSignalsPickingOptions): NMRSignal2DWithID<matrixPeakFinders.Peak2D & {
64
64
  id: string;
65
65
  }>[];
66
66
  /**
@@ -1 +1 @@
1
- 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1
+ 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@@ -1,13 +1,7 @@
1
+ import { MinMaxContent } from 'cheminfo-types';
1
2
  import type { GetKernelOptions } from '../peaks/util/getKernel';
2
3
  import { MakeMandatory } from '../utilities/MakeMandatory';
3
4
  import { NMRZone } from './NMRZone';
4
- export interface Data2D {
5
- z: number[][] | Float64Array[];
6
- minX: number;
7
- maxX: number;
8
- minY: number;
9
- maxY: number;
10
- }
11
5
  export interface XYZAutoZonesPickingOptions {
12
6
  /**
13
7
  * max number of points in any dimension to pad the input data, this is needed to avoid lost peaks when the input matrix is too small.
@@ -64,4 +58,4 @@ export interface XYZAutoZonesPickingOptions {
64
58
  kernel?: GetKernelOptions;
65
59
  }
66
60
  export type NMRZoneWithID = MakeMandatory<NMRZone, 'id'>;
67
- export declare function xyzAutoZonesPicking(spectraData: Data2D, options: XYZAutoZonesPickingOptions): NMRZoneWithID[];
61
+ export declare function xyzAutoZonesPicking(spectraData: MinMaxContent, options: XYZAutoZonesPickingOptions): NMRZoneWithID[];
@@ -1 +1 @@
1
- {"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;AAAA,0BAA2C;AAK3C,kDAAgD;AAmEhD,SAAgB,mBAAmB,CACjC,WAAmB,EACnB,OAAmC;IAEnC,MAAM,OAAO,GAAG,IAAA,yBAAqB,EAAC,WAAW,EAAE,OAAO,CAAC,CAAC;IAC5D,OAAO,IAAA,wBAAW,EAAC,OAAO,CAAC,CAAC;AAC9B,CAAC;AAND,kDAMC"}
1
+ {"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;AAEA,0BAA2C;AAK3C,kDAAgD;AA2DhD,SAAgB,mBAAmB,CACjC,WAA0B,EAC1B,OAAmC;IAEnC,MAAM,OAAO,GAAG,IAAA,yBAAqB,EAAC,WAAW,EAAE,OAAO,CAAC,CAAC;IAC5D,OAAO,IAAA,wBAAW,EAAC,OAAO,CAAC,CAAC;AAC9B,CAAC;AAND,kDAMC"}
@@ -0,0 +1,40 @@
1
+ import { Data2D, DoubleArray } from 'cheminfo-types';
2
+ import { ApodizationFilterOptions } from '../apodization/apodization';
3
+ import { DirectDimensionOptions } from './util/fft2d/fftDirectDimension';
4
+ import { IndirectDimensionOptions } from './util/fft2d/fftIndirectDimension';
5
+ import { ZeroFillingOptions } from './util/fft2d/zeroFilling';
6
+ type Info2D = any;
7
+ interface BidimensionalFFTOptions {
8
+ fnMode: string;
9
+ info: Info2D;
10
+ zeroFilling?: ZeroFillingOptions;
11
+ phaseCorrection?: {
12
+ ph0: number;
13
+ ph1: number;
14
+ };
15
+ digitalFilterValue?: number;
16
+ apodization?: ApodizationFilterOptions;
17
+ indirect?: IndirectDimensionOptions;
18
+ direct?: DirectDimensionOptions;
19
+ }
20
+ export declare function xyzBidimensionalFFT(data: Data2D, options: BidimensionalFFTOptions): {
21
+ re: {
22
+ minX: number;
23
+ maxX: number;
24
+ minY: number;
25
+ maxY: number;
26
+ z: DoubleArray[];
27
+ maxZ: number;
28
+ minZ: number;
29
+ };
30
+ im: {
31
+ minX: number;
32
+ maxX: number;
33
+ minY: number;
34
+ maxY: number;
35
+ z: DoubleArray[];
36
+ maxZ: number;
37
+ minZ: number;
38
+ };
39
+ };
40
+ export {};