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
  313. package/lib-esm/datum/data1d/utils/checkIntegralKind.js.map +1 -0
  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
  325. package/lib-esm/datum/data1d/utils/mapRanges.js.map +1 -0
  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
  337. package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
  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
  349. package/lib-esm/datum/data2d/utils/isZoneExists.js.map +1 -0
  350. package/lib-esm/datum/data2d/utils/mapZones.js +64 -0
  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
  393. package/lib-esm/types/Peaks/Peak1D.js.map +1 -0
  394. package/lib-esm/types/Peaks/Peak2D.js +2 -0
  395. package/lib-esm/types/Peaks/Peak2D.js.map +1 -0
  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
  408. package/lib-esm/types/Zones/Zones.js +2 -0
  409. package/lib-esm/types/Zones/Zones.js.map +1 -0
  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
  431. package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -0
  432. package/lib-esm/xyz/util/padData.js +7 -4
  433. package/lib-esm/xyz/util/padData.js.map +1 -1
  434. package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
  435. package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
  436. package/lib-esm/xyz/xyzBidimensionalFFT.js +75 -0
  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
package/src/assignment/utils/getAssignment/data/predictions.js DELETED
@@ -1,34 +0,0 @@
1
- const predictions = {
2
- C: {
3
- carbon1: {
4
- delta: 49.2,
5
- diaIDs: ['carbon1'],
6
- allHydrogens: 2,
7
- diaIDIndex: 0,
8
- pathLength: [0, 1, 2, 1, 1],
9
- },
10
- carbon2: {
11
- delta: 28,
12
- diaIDs: ['carbon2'],
13
- allHydrogens: 0,
14
- diaIDIndex: 1,
15
- pathLength: [1, 0, 1, 2, 2],
16
- },
17
- carbon3: {
18
- delta: 26.3,
19
- diaIDs: ['carbon3'],
20
- allHydrogens: 0,
21
- diaIDIndex: 2,
22
- pathLegth: [2, 1, 0, 3, 3],
23
- },
24
- carbon4: {
25
- delta: 120,
26
- diaIDs: ['carbon4'],
27
- allHydrogens: 2,
28
- diaIDIndex: 3,
29
- pathLength: [2, 1, 0, 3, 3],
30
- },
31
- },
32
- };
33
-
34
- export default predictions;
package/src/nmr-parser.d.ts DELETED
@@ -1,17 +0,0 @@
1
- declare module 'nmr-parser' {
2
- interface FromBrukerOptions {
3
- base64?: boolean;
4
- shiftX?: number;
5
- info?: any;
6
- name?: string;
7
- }
8
-
9
- function fromBruker(
10
- zipFile: ArrayBuffer | string,
11
- options?: Partial<FromBrukerOptions>,
12
- ): Promise<Array<any>>;
13
-
14
- function fromJCAMP(buffer: string | ArrayBuffer, options?: any): Array<any>;
15
-
16
- function fromJEOL(buffer: ArrayBuffer): any;
17
- }
package/src/prediction/utils/flatGroupedDiaIDs.ts DELETED
@@ -1,11 +0,0 @@
1
- import type { GroupedDiastereotopicAtomIDs } from 'openchemlib-utils';
2
-
3
- export function flatGroupedDiaIDs(groups: GroupedDiastereotopicAtomIDs) {
4
- let diaIDs = [];
5
- for (let group of groups) {
6
- for (let atom of group.atoms) {
7
- diaIDs[atom] = group.oclID;
8
- }
9
- }
10
- return diaIDs;
11
- }
package/src/xyz/Data2D.ts DELETED
@@ -1,7 +0,0 @@
1
- export interface Data2D {
2
- z: number[][] | Float64Array[];
3
- minX: number;
4
- maxX: number;
5
- minY: number;
6
- maxY: number;
7
- }
/package/lib/{xyz → types}/Data2D.js RENAMED
File without changes
/package/lib-esm/{xyz → types}/Data2D.js RENAMED
File without changes