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
@@ -0,0 +1,3 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ //# sourceMappingURL=MatrixFilter.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"MatrixFilter.js","sourceRoot":"","sources":["../../src/datum/MatrixFilter.ts"],"names":[],"mappings":""}
@@ -0,0 +1,28 @@
1
+ import { ExclusionZone } from './ExclusionZone';
2
+ import { MatrixFilter } from './MatrixFilter';
3
+ export interface MatrixOptions {
4
+ /**
5
+ * Matrix generation filters
6
+ * @default []
7
+ *
8
+ */
9
+ filters: (MatrixFilter & {
10
+ options: object;
11
+ })[];
12
+ /**
13
+ * Exclusion zones
14
+ * @default []
15
+ */
16
+ exclusionsZones: ExclusionZone[];
17
+ /**
18
+ * range
19
+ */
20
+ range: {
21
+ from: number;
22
+ to: number;
23
+ };
24
+ /**
25
+ * number of points
26
+ */
27
+ numberOfPoints: number;
28
+ }
@@ -0,0 +1,3 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ //# sourceMappingURL=MatrixOptions.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"MatrixOptions.js","sourceRoot":"","sources":["../../src/datum/MatrixOptions.ts"],"names":[],"mappings":""}
@@ -0,0 +1,17 @@
1
+ import { Data1D } from '../../types/Data1D';
2
+ import { Filter } from '../../types/Filter';
3
+ import { Info1D } from '../../types/Info/Info1D';
4
+ import { Integrals } from '../../types/Integrals';
5
+ import { Peaks } from '../../types/Peaks/Peaks';
6
+ import { Ranges } from '../../types/Ranges/Ranges';
7
+ export interface Entry1D {
8
+ id?: string;
9
+ data: Data1D;
10
+ originalData?: Data1D;
11
+ peaks: Peaks;
12
+ integrals: Integrals;
13
+ ranges: Ranges;
14
+ info: Info1D;
15
+ originalInfo?: Info1D;
16
+ filters: Array<Filter>;
17
+ }
@@ -0,0 +1,3 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ //# sourceMappingURL=Entry1D.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"Entry1D.js","sourceRoot":"","sources":["../../../src/datum/data1d/Entry1D.ts"],"names":[],"mappings":""}
@@ -0,0 +1,25 @@
1
+ import { Data1D } from '../../../../types/Data1D';
2
+ import { Info1D } from '../../../../types/Info/Info1D';
3
+ import { FilterDomainUpdateRules } from '../../../FiltersManager';
4
+ import { Entry1D } from '../../Entry1D';
5
+ export declare const id = "apodization";
6
+ export declare const name = "Apodization";
7
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
8
+ export interface ApodizationOptions {
9
+ lineBroadening: number;
10
+ gaussBroadening: number;
11
+ lineBroadeningCenter: number;
12
+ }
13
+ type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
14
+ info: Partial<Info1D>;
15
+ data: Data1D;
16
+ };
17
+ export declare function apply(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): void;
18
+ export declare function isApplicable(datum1D: Entry1DApodizationFilter): datum1D is Entry1DApodizationFilter & {
19
+ data: Required<Data1D>;
20
+ };
21
+ export declare function reduce(previousValue: any, newValue: any): {
22
+ once: boolean;
23
+ reduce: any;
24
+ };
25
+ export {};
@@ -0,0 +1,36 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
4
+ const apodizationFilter_1 = require("./apodizationFilter");
5
+ exports.id = 'apodization';
6
+ exports.name = 'Apodization';
7
+ exports.DOMAIN_UPDATE_RULES = {
8
+ updateXDomain: true,
9
+ updateYDomain: false,
10
+ };
11
+ function apply(datum1D, options) {
12
+ if (!isApplicable(datum1D)) {
13
+ throw new Error('apodization not applicable on this data');
14
+ }
15
+ const newData = (0, apodizationFilter_1.apodizationFilter)(datum1D, options);
16
+ datum1D.data = {
17
+ ...datum1D.data,
18
+ re: newData.re,
19
+ im: newData.im,
20
+ };
21
+ }
22
+ exports.apply = apply;
23
+ function isApplicable(datum1D) {
24
+ if (datum1D.info.isComplex && datum1D.info.isFid)
25
+ return true;
26
+ return false;
27
+ }
28
+ exports.isApplicable = isApplicable;
29
+ function reduce(previousValue, newValue) {
30
+ return {
31
+ once: true,
32
+ reduce: newValue,
33
+ };
34
+ }
35
+ exports.reduce = reduce;
36
+ //# sourceMappingURL=apodization.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"apodization.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodization.ts"],"names":[],"mappings":";;;AAKA,2DAAwD;AAE3C,QAAA,EAAE,GAAG,aAAa,CAAC;AACnB,QAAA,IAAI,GAAG,aAAa,CAAC;AACrB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAaF,SAAgB,KAAK,CACnB,OAAiC,EACjC,OAA2B;IAE3B,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,yCAAyC,CAAC,CAAC;KAC5D;IACD,MAAM,OAAO,GAAG,IAAA,qCAAiB,EAAC,OAAO,EAAE,OAAO,CAAC,CAAC;IAEpD,OAAO,CAAC,IAAI,GAAG;QACb,GAAG,OAAO,CAAC,IAAI;QACf,EAAE,EAAE,OAAO,CAAC,EAAkB;QAC9B,EAAE,EAAE,OAAO,CAAC,EAAkB;KAC/B,CAAC;AACJ,CAAC;AAdD,sBAcC;AACD,SAAgB,YAAY,CAC1B,OAAiC;IAEjC,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AALD,wBAKC"}
@@ -0,0 +1,14 @@
1
+ import { Data1D } from '../../../../types/Data1D';
2
+ import { Info1D } from '../../../../types/Info/Info1D';
3
+ import { Entry1D } from '../../Entry1D';
4
+ import { ApodizationOptions } from './apodization';
5
+ type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
6
+ info: Partial<Info1D>;
7
+ data: Required<Data1D>;
8
+ };
9
+ export declare function apodizationFilter(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): {
10
+ windowData: Float64Array;
11
+ re: import("cheminfo-types").DoubleArray;
12
+ im: import("cheminfo-types").DoubleArray;
13
+ };
14
+ export {};
@@ -0,0 +1,37 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.apodizationFilter = void 0;
4
+ const apodization_1 = require("../../../../apodization/apodization");
5
+ function apodizationFilter(datum1D, options) {
6
+ const { lineBroadening, gaussBroadening, lineBroadeningCenter } = options;
7
+ const grpdly = datum1D.info?.digitalFilter || 0;
8
+ const pointsToShift = grpdly > 0 ? Math.floor(grpdly) : 0;
9
+ const re = datum1D.data.re;
10
+ const im = datum1D.data.im;
11
+ const t = datum1D.data.x;
12
+ const length = re.length;
13
+ const dw = (t[length - 1] - t[0]) / (length - 1); //REPLACE CONSTANT with calculated value... : for this we need AQ or DW to set it right...
14
+ return (0, apodization_1.apodization)({ re, im }, {
15
+ pointsToShift,
16
+ compose: {
17
+ length,
18
+ shapes: [
19
+ {
20
+ start: 0,
21
+ shape: {
22
+ kind: 'lorentzToGauss',
23
+ options: {
24
+ length,
25
+ dw,
26
+ exponentialHz: gaussBroadening > 0 ? lineBroadening : -lineBroadening,
27
+ gaussianHz: gaussBroadening,
28
+ center: lineBroadeningCenter,
29
+ },
30
+ },
31
+ },
32
+ ],
33
+ },
34
+ });
35
+ }
36
+ exports.apodizationFilter = apodizationFilter;
37
+ //# sourceMappingURL=apodizationFilter.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"apodizationFilter.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodizationFilter.ts"],"names":[],"mappings":";;;AAAA,qEAAkE;AAYlE,SAAgB,iBAAiB,CAC/B,OAAiC,EACjC,OAA2B;IAE3B,MAAM,EAAE,cAAc,EAAE,eAAe,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IAE1E,MAAM,MAAM,GAAG,OAAO,CAAC,IAAI,EAAE,aAAa,IAAI,CAAC,CAAC;IAChD,MAAM,aAAa,GAAG,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAE1D,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;IAEzB,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC;IACzB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,0FAA0F;IAE5I,OAAO,IAAA,yBAAW,EAChB,EAAE,EAAE,EAAE,EAAE,EAAE,EACV;QACE,aAAa;QACb,OAAO,EAAE;YACP,MAAM;YACN,MAAM,EAAE;gBACN;oBACE,KAAK,EAAE,CAAC;oBACR,KAAK,EAAE;wBACL,IAAI,EAAE,gBAAgB;wBACtB,OAAO,EAAE;4BACP,MAAM;4BACN,EAAE;4BACF,aAAa,EACX,eAAe,GAAG,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,CAAC,cAAc;4BACxD,UAAU,EAAE,eAAe;4BAC3B,MAAM,EAAE,oBAAoB;yBAC7B;qBACF;iBACF;aACF;SACF;KACF,CACF,CAAC;AACJ,CAAC;AAzCD,8CAyCC"}
@@ -0,0 +1,32 @@
1
+ import { FilterDomainUpdateRules } from '../../FiltersManager';
2
+ import { Entry1D } from '../Entry1D';
3
+ export declare const id = "baselineCorrection";
4
+ export declare const name = "Baseline correction";
5
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
6
+ export type BaselineAlgorithms = 'airpls' | 'polynomial';
7
+ export interface PolynomialOptions {
8
+ zones: Array<{
9
+ from: number;
10
+ to: number;
11
+ id: string;
12
+ }>;
13
+ algorithm: 'polynomial';
14
+ degree: number;
15
+ }
16
+ export interface AirplsOptions {
17
+ zones: Array<{
18
+ from: number;
19
+ to: number;
20
+ id: string;
21
+ }>;
22
+ algorithm: 'airpls';
23
+ maxIterations: number;
24
+ tolerance: number;
25
+ }
26
+ export type BaselineCorrectionOptions = PolynomialOptions | AirplsOptions;
27
+ export declare function apply(datum1D: Entry1D, options: BaselineCorrectionOptions): void;
28
+ export declare function isApplicable(datum1D: Entry1D): boolean;
29
+ export declare function reduce(previousValue: BaselineCorrectionOptions, newValue: BaselineCorrectionOptions): {
30
+ once: boolean;
31
+ reduce: BaselineCorrectionOptions;
32
+ };
@@ -0,0 +1,61 @@
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.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
7
+ const ml_airpls_1 = __importDefault(require("ml-airpls"));
8
+ const ml_baseline_correction_regression_1 = __importDefault(require("ml-baseline-correction-regression"));
9
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
10
+ exports.id = 'baselineCorrection';
11
+ exports.name = 'Baseline correction';
12
+ exports.DOMAIN_UPDATE_RULES = {
13
+ updateXDomain: false,
14
+ updateYDomain: true,
15
+ };
16
+ function apply(datum1D, options) {
17
+ if (!isApplicable(datum1D)) {
18
+ throw new Error('baselineCorrection not applicable on this data');
19
+ }
20
+ const { algorithm } = options;
21
+ let { x, re } = datum1D.data;
22
+ let corrected;
23
+ switch (algorithm) {
24
+ case 'airpls':
25
+ corrected = (0, ml_airpls_1.default)(x, re, options).corrected;
26
+ break;
27
+ case 'polynomial':
28
+ {
29
+ const { degree, zones } = options;
30
+ let reduced = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { numberOfPoints: 4096, zones });
31
+ let result = (0, ml_baseline_correction_regression_1.default)(reduced.x, reduced.y, {
32
+ regressionOptions: degree,
33
+ });
34
+ let { regression } = result;
35
+ corrected = new Float64Array(x.length);
36
+ for (let i = 0; i < re.length; i++) {
37
+ corrected[i] = re[i] - regression.predict(x[i]);
38
+ }
39
+ }
40
+ break;
41
+ default:
42
+ // eslint-disable-next-line @typescript-eslint/restrict-template-expressions
43
+ throw new Error(`baselineCorrection: algorithm unknown: ${algorithm}`);
44
+ }
45
+ Object.assign(datum1D.data, { re: corrected });
46
+ }
47
+ exports.apply = apply;
48
+ function isApplicable(datum1D) {
49
+ if (!datum1D.info.isFid)
50
+ return true;
51
+ return false;
52
+ }
53
+ exports.isApplicable = isApplicable;
54
+ function reduce(previousValue, newValue) {
55
+ return {
56
+ once: true,
57
+ reduce: newValue,
58
+ };
59
+ }
60
+ exports.reduce = reduce;
61
+ //# sourceMappingURL=baselineCorrection.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":";;;;;;AAAA,0DAA+B;AAC/B,0GAAmE;AACnE,iEAAwD;AAK3C,QAAA,EAAE,GAAG,oBAAoB,CAAC;AAC1B,QAAA,IAAI,GAAG,qBAAqB,CAAC;AAC7B,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAmBF,SAAgB,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAE7B,IAAI,SAAS,CAAC;IACd,QAAQ,SAAS,EAAE;QACjB,KAAK,QAAQ;YACX,SAAS,GAAG,IAAA,mBAAM,EAAC,CAAC,EAAE,EAAE,EAAE,OAAO,CAAC,CAAC,SAAS,CAAC;YAC7C,MAAM;QACR,KAAK,YAAY;YACf;gBACE,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;gBAClC,IAAI,OAAO,GAAG,IAAA,uCAAe,EAC3B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,cAAc,EAAE,IAAI,EAAE,KAAK,EAAE,CAChC,CAAC;gBACF,IAAI,MAAM,GAAG,IAAA,2CAAkB,EAAC,OAAO,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE;oBACpD,iBAAiB,EAAE,MAAM;iBAC1B,CAAC,CAAC;gBACH,IAAI,EAAE,UAAU,EAAE,GAAG,MAAM,CAAC;gBAC5B,SAAS,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;gBACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAClC,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;iBACjD;aACF;YAED,MAAM;QACR;YACE,4EAA4E;YAC5E,MAAM,IAAI,KAAK,CAAC,0CAA0C,SAAS,EAAE,CAAC,CAAC;KAC1E;IAED,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;AACjD,CAAC;AApCD,sBAoCC;AAED,SAAgB,YAAY,CAAC,OAAgB;IAC3C,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACrC,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AARD,wBAQC"}
@@ -0,0 +1,23 @@
1
+ import { Data1D } from '../../../types/Data1D';
2
+ import { Info1D } from '../../../types/Info/Info1D';
3
+ import { FilterDomainUpdateRules } from '../../FiltersManager';
4
+ import { Entry1D } from '../Entry1D';
5
+ export declare const id = "digitalFilter";
6
+ export declare const name = "Digital Filter";
7
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
8
+ type Entry1DDigitalFilter = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D, 'data' | 'filters'>> & {
9
+ info: Partial<Info1D>;
10
+ };
11
+ /**
12
+ * Move points from the beginning to the end of FID and performs a first order phase correction
13
+ * @param {Datum1d} datum1d
14
+ */
15
+ export declare function apply(spectrum: Entry1DDigitalFilter, options?: any): void;
16
+ export declare function isApplicable(datum1D: Entry1DDigitalFilter): datum1D is Entry1DDigitalFilter & {
17
+ data: Required<Data1D>;
18
+ };
19
+ export declare function reduce(): {
20
+ once: boolean;
21
+ reduce: undefined;
22
+ };
23
+ export {};
@@ -0,0 +1,54 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
4
+ exports.id = 'digitalFilter';
5
+ exports.name = 'Digital Filter';
6
+ exports.DOMAIN_UPDATE_RULES = {
7
+ updateXDomain: true,
8
+ updateYDomain: true,
9
+ };
10
+ /**
11
+ * Move points from the beginning to the end of FID and performs a first order phase correction
12
+ * @param {Datum1d} datum1d
13
+ */
14
+ function apply(spectrum, options = {}) {
15
+ if (!isApplicable(spectrum)) {
16
+ throw new Error('Digital Filter is not applicable on this data');
17
+ }
18
+ let { digitalFilterValue } = options;
19
+ if (!digitalFilterValue) {
20
+ digitalFilterValue = spectrum.info.digitalFilter || 0;
21
+ const filter = spectrum.filters.find((filter) => filter.name === exports.id);
22
+ if (filter) {
23
+ filter.value = { digitalFilterValue };
24
+ }
25
+ }
26
+ let re = new Float64Array(spectrum.data.re);
27
+ let im = new Float64Array(spectrum.data.im);
28
+ let pointsToShift = Math.floor(digitalFilterValue);
29
+ const skip = 0;
30
+ pointsToShift += 0;
31
+ const newRe = new Float64Array(re.length);
32
+ const newIm = new Float64Array(im.length);
33
+ newRe.set(re.slice(pointsToShift));
34
+ newRe.set(re.slice(skip, pointsToShift), re.length - pointsToShift);
35
+ newIm.set(im.slice(pointsToShift));
36
+ newIm.set(im.slice(skip, pointsToShift), im.length - pointsToShift);
37
+ spectrum.data.re = newRe;
38
+ spectrum.data.im = newIm;
39
+ }
40
+ exports.apply = apply;
41
+ function isApplicable(datum1D) {
42
+ if (datum1D.info.isComplex && datum1D.info.isFid)
43
+ return true;
44
+ return false;
45
+ }
46
+ exports.isApplicable = isApplicable;
47
+ function reduce() {
48
+ return {
49
+ once: true,
50
+ reduce: undefined,
51
+ };
52
+ }
53
+ exports.reduce = reduce;
54
+ //# sourceMappingURL=digitalFilter.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":";;;AAKa,QAAA,EAAE,GAAG,eAAe,CAAC;AACrB,QAAA,IAAI,GAAG,gBAAgB,CAAC;AACxB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,SAAgB,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,UAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC5C,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE5C,IAAI,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAEnD,MAAM,IAAI,GAAG,CAAC,CAAC;IACf,aAAa,IAAI,CAAC,CAAC;IAEnB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IACpE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IAEpE,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;IACzB,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;AAC3B,CAAC;AA/BD,sBA+BC;AAED,SAAgB,YAAY,CAC1B,OAA6B;IAE7B,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC;AALD,wBAKC"}
@@ -0,0 +1,31 @@
1
+ import { FilterDomainUpdateRules } from '../../FiltersManager';
2
+ import { Entry1D } from '../Entry1D';
3
+ export declare const id = "equallySpaced";
4
+ export declare const name = "Equally spaced";
5
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
6
+ /**
7
+ * Equally Spaced
8
+ * **
9
+ * Function that returns a Number array of equally spaced numberOfPoints
10
+ * containing a representation of intensities of the spectra arguments x
11
+ * and y.
12
+ *
13
+ * The options parameter contains an object in the following form:
14
+ * from: starting point
15
+ * to: last point
16
+ * numberOfPoints: number of points between from and to
17
+ * variant: "slot" or "smooth" - smooth is the default option
18
+ *
19
+ * The slot variant consist that each point in the new array is calculated
20
+ * averaging the existing points between the slot that belongs to the current
21
+ * value. The smooth variant is the same but takes the integral of the range
22
+ * of the slot and divide by the step size between two points in the new array.
23
+ *
24
+ * @param {Array<{from:number;to:number}>} options.exclusions
25
+ */
26
+ export declare function apply(spectrum: Entry1D, options?: any): void;
27
+ export declare function isApplicable(spectrum: Entry1D): boolean;
28
+ export declare function reduce(): {
29
+ once: boolean;
30
+ reduce: null;
31
+ };
@@ -0,0 +1,59 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
4
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
5
+ exports.id = 'equallySpaced';
6
+ exports.name = 'Equally spaced';
7
+ exports.DOMAIN_UPDATE_RULES = {
8
+ updateXDomain: false,
9
+ updateYDomain: false,
10
+ };
11
+ /**
12
+ * Equally Spaced
13
+ * **
14
+ * Function that returns a Number array of equally spaced numberOfPoints
15
+ * containing a representation of intensities of the spectra arguments x
16
+ * and y.
17
+ *
18
+ * The options parameter contains an object in the following form:
19
+ * from: starting point
20
+ * to: last point
21
+ * numberOfPoints: number of points between from and to
22
+ * variant: "slot" or "smooth" - smooth is the default option
23
+ *
24
+ * The slot variant consist that each point in the new array is calculated
25
+ * averaging the existing points between the slot that belongs to the current
26
+ * value. The smooth variant is the same but takes the integral of the range
27
+ * of the slot and divide by the step size between two points in the new array.
28
+ *
29
+ * @param {Array<{from:number;to:number}>} options.exclusions
30
+ */
31
+ function apply(spectrum, options = {}) {
32
+ if (!isApplicable(spectrum)) {
33
+ throw new Error('Equally Spaced is not applicable on this data');
34
+ }
35
+ const { from, to, numberOfPoints, exclusions } = options;
36
+ const { x, re, im } = spectrum.data;
37
+ const XREdata = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { from, to, numberOfPoints, exclusions });
38
+ spectrum.data.x = (0, ml_spectra_processing_1.xEnsureFloat64)(XREdata.x);
39
+ spectrum.data.re = (0, ml_spectra_processing_1.xEnsureFloat64)(XREdata.y);
40
+ if (im) {
41
+ const XIMdata = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { from, to, numberOfPoints, exclusions });
42
+ spectrum.data.im = (0, ml_spectra_processing_1.xEnsureFloat64)(XIMdata.y);
43
+ }
44
+ }
45
+ exports.apply = apply;
46
+ function isApplicable(spectrum) {
47
+ if (spectrum.info.isComplex && !spectrum.info.isFid)
48
+ return true;
49
+ return false;
50
+ }
51
+ exports.isApplicable = isApplicable;
52
+ function reduce() {
53
+ return {
54
+ once: false,
55
+ reduce: null,
56
+ };
57
+ }
58
+ exports.reduce = reduce;
59
+ //# sourceMappingURL=equallySpaced.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"equallySpaced.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/equallySpaced.ts"],"names":[],"mappings":";;;AAAA,iEAAwE;AAK3D,QAAA,EAAE,GAAG,eAAe,CAAC;AACrB,QAAA,IAAI,GAAG,gBAAgB,CAAC;AACxB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAEF;;;;;;;;;;;;;;;;;;;GAmBG;AAEH,SAAgB,KAAK,CAAC,QAAiB,EAAE,UAAe,EAAE;IACxD,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,MAAM,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,GAAG,OAAO,CAAC;IACzD,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IACpC,MAAM,OAAO,GAAG,IAAA,uCAAe,EAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,CACzC,CAAC;IAEF,QAAQ,CAAC,IAAI,CAAC,CAAC,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;IAC5C,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;IAC7C,IAAI,EAAE,EAAE;QACN,MAAM,OAAO,GAAG,IAAA,uCAAe,EAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,CACzC,CAAC;QACF,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;KAC9C;AACH,CAAC;AApBD,sBAoBC;AAED,SAAgB,YAAY,CAAC,QAAiB;IAC5C,IAAI,QAAQ,CAAC,IAAI,CAAC,SAAS,IAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACjE,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,KAAK;QACX,MAAM,EAAE,IAAI;KACb,CAAC;AACJ,CAAC;AALD,wBAKC"}
@@ -0,0 +1,11 @@
1
+ import { FilterDomainUpdateRules } from '../../FiltersManager';
2
+ import { Entry1D } from '../Entry1D';
3
+ export declare const id = "exclusionZones";
4
+ export declare const name = "Exclusion zones";
5
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
6
+ export declare function apply(spectrum: Entry1D, zones?: never[]): void;
7
+ export declare function isApplicable(spectrum: Entry1D): boolean;
8
+ export declare function reduce(previousValue: any, newValue: any): {
9
+ once: boolean;
10
+ reduce: import("cheminfo-types").FromTo[];
11
+ };
@@ -0,0 +1,35 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
4
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
5
+ exports.id = 'exclusionZones';
6
+ exports.name = 'Exclusion zones';
7
+ exports.DOMAIN_UPDATE_RULES = {
8
+ updateXDomain: false,
9
+ updateYDomain: false,
10
+ };
11
+ function apply(spectrum, zones = []) {
12
+ if (!isApplicable(spectrum)) {
13
+ throw new Error('Exclusion Zones filter not applicable on this data');
14
+ }
15
+ const { x, re, im } = spectrum.data;
16
+ spectrum.data.re = Float64Array.from((0, ml_spectra_processing_1.xySetYValue)({ x, y: re }, { zones }).y);
17
+ spectrum.data.im = im
18
+ ? Float64Array.from((0, ml_spectra_processing_1.xySetYValue)({ x, y: re }, { zones }).y)
19
+ : im;
20
+ }
21
+ exports.apply = apply;
22
+ function isApplicable(spectrum) {
23
+ if (spectrum.info.isFt)
24
+ return true;
25
+ return false;
26
+ }
27
+ exports.isApplicable = isApplicable;
28
+ function reduce(previousValue, newValue) {
29
+ return {
30
+ once: true,
31
+ reduce: (0, ml_spectra_processing_1.zonesNormalize)(previousValue.concat(newValue)),
32
+ };
33
+ }
34
+ exports.reduce = reduce;
35
+ //# sourceMappingURL=exclusionZones.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"exclusionZones.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/exclusionZones.ts"],"names":[],"mappings":";;;AAAA,iEAAoE;AAKvD,QAAA,EAAE,GAAG,gBAAgB,CAAC;AACtB,QAAA,IAAI,GAAG,iBAAiB,CAAC;AACzB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAEF,SAAgB,KAAK,CAAC,QAAiB,EAAE,KAAK,GAAG,EAAE;IACjD,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,oDAAoD,CAAC,CAAC;KACvE;IACD,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IACpC,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,YAAY,CAAC,IAAI,CAAC,IAAA,mCAAW,EAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAC7E,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,EAAE;QACnB,CAAC,CAAC,YAAY,CAAC,IAAI,CAAC,IAAA,mCAAW,EAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC;QAC3D,CAAC,CAAC,EAAE,CAAC;AACT,CAAC;AATD,sBASC;AAED,SAAgB,YAAY,CAAC,QAAiB;IAC5C,IAAI,QAAQ,CAAC,IAAI,CAAC,IAAI;QAAE,OAAO,IAAI,CAAC;IACpC,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,IAAA,sCAAc,EAAC,aAAa,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC;KACvD,CAAC;AACJ,CAAC;AALD,wBAKC"}
@@ -0,0 +1,19 @@
1
+ import { Data1D } from '../../../types/Data1D';
2
+ import { Info1D } from '../../../types/Info/Info1D';
3
+ import { FilterDomainUpdateRules } from '../../FiltersManager';
4
+ import { Entry1D } from '../Entry1D';
5
+ export declare const id = "fft";
6
+ export declare const name = "FFT";
7
+ export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
8
+ type Entry1DFt = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D, 'data' | 'filters'>> & {
9
+ info: Partial<Info1D>;
10
+ };
11
+ export declare function apply(datum1D: Entry1DFt): void;
12
+ export declare function isApplicable(datum1D: Entry1DFt): datum1D is Entry1DFt & {
13
+ data: Required<Data1D>;
14
+ };
15
+ export declare function reduce(): {
16
+ once: boolean;
17
+ reduce: undefined;
18
+ };
19
+ export {};
@@ -0,0 +1,93 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
4
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
5
+ const padDataToNextPowerOfTwo_1 = require("./utils/padDataToNextPowerOfTwo");
6
+ exports.id = 'fft';
7
+ exports.name = 'FFT';
8
+ exports.DOMAIN_UPDATE_RULES = {
9
+ updateXDomain: true,
10
+ updateYDomain: true,
11
+ };
12
+ function apply(datum1D) {
13
+ if (!isApplicable(datum1D)) {
14
+ throw new Error('fft not applicable on this data');
15
+ }
16
+ checkSameLength(datum1D);
17
+ let digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
18
+ const { info: { aqMod }, } = datum1D;
19
+ if (aqMod === 1) {
20
+ removeDCOffset(datum1D, digitalFilterApplied);
21
+ }
22
+ if (!isPowerOfTwo(datum1D.data.x.length)) {
23
+ (0, padDataToNextPowerOfTwo_1.padDataToNextPowerOfTwo)(datum1D, digitalFilterApplied);
24
+ }
25
+ const { data, info } = datum1D;
26
+ Object.assign(data, (0, ml_spectra_processing_1.reimFFT)({
27
+ re: data.re,
28
+ im: data.im,
29
+ }, { applyZeroShift: true }));
30
+ if (digitalFilterApplied) {
31
+ let { digitalFilter = 0 } = info;
32
+ let ph1 = (digitalFilter - Math.floor(digitalFilter)) * Math.PI * 2;
33
+ Object.assign(data, (0, ml_spectra_processing_1.reimPhaseCorrection)(data, 0, -ph1, { reverse: true }));
34
+ }
35
+ datum1D.data.x = generateXAxis(datum1D);
36
+ datum1D.info = { ...datum1D.info, isFid: false, isFt: true };
37
+ }
38
+ exports.apply = apply;
39
+ function isApplicable(datum1D) {
40
+ if (datum1D.info.isComplex && datum1D.info.isFid)
41
+ return true;
42
+ return false;
43
+ }
44
+ exports.isApplicable = isApplicable;
45
+ function reduce() {
46
+ return {
47
+ once: true,
48
+ reduce: undefined,
49
+ };
50
+ }
51
+ exports.reduce = reduce;
52
+ function generateXAxis(datum1D) {
53
+ const info = datum1D.info;
54
+ const baseFrequency = Number(info.baseFrequency);
55
+ const frequencyOffset = Number(info.frequencyOffset);
56
+ const spectralWidth = Number(info.spectralWidth);
57
+ const offset = frequencyOffset / baseFrequency;
58
+ let spectralHalfWidth = 0.5 * spectralWidth;
59
+ let nbPoints = datum1D.data.x.length;
60
+ let firstPoint = offset - spectralHalfWidth;
61
+ let dx = spectralWidth / (nbPoints - 1);
62
+ const xAxis = new Float64Array(nbPoints);
63
+ for (let i = 0; i < nbPoints; i++) {
64
+ xAxis[i] = firstPoint;
65
+ firstPoint += dx;
66
+ }
67
+ return xAxis;
68
+ }
69
+ function isPowerOfTwo(n) {
70
+ return n !== 0 && (n & (n - 1)) === 0;
71
+ }
72
+ function removeDCOffset(spectrum, digitalFilterApplied) {
73
+ let { digitalFilter = 0 } = digitalFilterApplied && spectrum.info ? spectrum.info : {};
74
+ const data = spectrum.data;
75
+ const nbPoints = data.re.length;
76
+ const newRe = new Float64Array(data.re);
77
+ const newIm = new Float64Array(data.im);
78
+ const averageRe = (0, ml_spectra_processing_1.xMean)(data.re.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilter));
79
+ const averageIm = (0, ml_spectra_processing_1.xMean)(data.im.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilter));
80
+ for (let i = digitalFilterApplied ? 0 : digitalFilter; i < nbPoints - digitalFilter; i++) {
81
+ newRe[i] -= averageRe;
82
+ newIm[i] -= averageIm;
83
+ }
84
+ Object.assign(spectrum.data, { re: newRe, im: newIm });
85
+ return spectrum;
86
+ }
87
+ function checkSameLength(spectrum) {
88
+ const { data } = spectrum;
89
+ if (data.x.length !== data.re.length || data.x.length !== data.im.length) {
90
+ throw new Error('The length of data should be equal');
91
+ }
92
+ }
93
+ //# sourceMappingURL=fft.js.map