nmr-processing 9.5.1 → 9.5.2-pre.1686022430

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 +36 -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 +33 -0
  139. package/lib/index.js +27 -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 +19 -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 +14 -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
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- export default correlations;