nmr-processing 9.7.8 → 9.8.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (583) hide show
  1. package/lib/apodization/compose.js +1 -1
  2. package/lib/apodization/compose.js.map +1 -1
  3. package/lib/assignment/get13CAssignments.d.ts +1 -1
  4. package/lib/assignment/get13CAssignments.js +3 -3
  5. package/lib/assignment/get13CAssignments.js.map +1 -1
  6. package/lib/assignment/get1HAssignments.d.ts +2 -4
  7. package/lib/assignment/get1HAssignments.js +3 -3
  8. package/lib/assignment/get1HAssignments.js.map +1 -1
  9. package/lib/assignment/getAssignments.d.ts +3 -5
  10. package/lib/assignment/getAssignments.js +5 -5
  11. package/lib/assignment/getAssignments.js.map +1 -1
  12. package/lib/assignment/nmrAssigment.d.ts +2 -2
  13. package/lib/assignment/utils/addSolution.d.ts +13 -0
  14. package/lib/assignment/utils/addSolution.js +29 -0
  15. package/lib/assignment/utils/addSolution.js.map +1 -0
  16. package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.d.ts +13 -27
  17. package/lib/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
  18. package/lib/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
  19. package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
  20. package/lib/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
  21. package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.d.ts +3 -7
  22. package/lib/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
  23. package/lib/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
  24. package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.d.ts +1 -1
  25. package/lib/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
  26. package/lib/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
  27. package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
  28. package/lib/assignment/utils/generalAssignment/formatData.js.map +1 -0
  29. package/lib/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  30. package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.d.ts +2 -4
  31. package/lib/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
  32. package/lib/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
  33. package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.d.ts +1 -1
  34. package/lib/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
  35. package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
  36. package/lib/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  37. package/lib/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
  38. package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.d.ts +1 -3
  39. package/lib/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
  40. package/lib/assignment/utils/generalAssignment/partialScore.js.map +1 -0
  41. package/lib/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
  42. package/lib/assignment/utils/{buildAssignments.d.ts → oneDimensionalAssignment/buildAssignments.d.ts} +2 -4
  43. package/lib/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
  44. package/lib/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
  45. package/lib/assignment/utils/{createMapPossibleAssignments.d.ts → oneDimensionalAssignment/createMapPossibleAssignments.d.ts} +3 -5
  46. package/lib/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
  47. package/lib/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
  48. package/lib/assignment/utils/{exploreTreeRec.d.ts → oneDimensionalAssignment/exploreTreeRec.d.ts} +1 -1
  49. package/lib/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
  50. package/lib/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
  51. package/lib/assignment/utils/{partialScore.d.ts → oneDimensionalAssignment/partialScore.d.ts} +1 -1
  52. package/lib/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
  53. package/lib/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
  54. package/lib/constants/SignalsKinds.d.ts +2 -2
  55. package/lib/constants/SignalsKinds.js.map +1 -1
  56. package/lib/constants/couplingValues.d.ts +1 -3
  57. package/lib/constants/couplingValues.js.map +1 -1
  58. package/lib/constants/degreeToRadians.d.ts +1 -0
  59. package/lib/constants/degreeToRadians.js +5 -0
  60. package/lib/constants/degreeToRadians.js.map +1 -0
  61. package/lib/constants/impurities.d.ts +1509 -6
  62. package/lib/constants/impurities.js +2 -1
  63. package/lib/constants/impurities.js.map +1 -1
  64. package/lib/databases/getDatabase.js +1 -1
  65. package/lib/databases/getDatabase.js.map +1 -1
  66. package/lib/datum/Filters.js +4 -0
  67. package/lib/datum/Filters.js.map +1 -1
  68. package/lib/datum/FiltersManager.d.ts +1 -1
  69. package/lib/datum/FiltersManager.js +2 -2
  70. package/lib/datum/FiltersManager.js.map +1 -1
  71. package/lib/datum/MatrixOptions.d.ts +2 -2
  72. package/lib/datum/data1d/Entry1D.d.ts +1 -1
  73. package/lib/datum/data1d/filter1d/baselineCorrection.js +4 -4
  74. package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  75. package/lib/datum/data1d/filter1d/digitalFilter.js +2 -2
  76. package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  77. package/lib/datum/data1d/filter1d/fft.js +7 -7
  78. package/lib/datum/data1d/filter1d/fft.js.map +1 -1
  79. package/lib/datum/data1d/filter1d/phaseCorrection.js +3 -3
  80. package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  81. package/lib/datum/data1d/filter1d/signalProcessing.js +1 -1
  82. package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  83. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  84. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  85. package/lib/datum/data1d/filter1d/zeroFilling.js +8 -8
  86. package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  87. package/lib/datum/data1d/utils/mapPeaks.js +1 -1
  88. package/lib/datum/data1d/utils/mapPeaks.js.map +1 -1
  89. package/lib/datum/data2d/Entry2D.d.ts +1 -1
  90. package/lib/datum/data2d/filter2d/fftDimension1.d.ts +15 -0
  91. package/lib/datum/data2d/filter2d/fftDimension1.js +69 -0
  92. package/lib/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  93. package/lib/datum/data2d/filter2d/fftDimension2.d.ts +15 -0
  94. package/lib/datum/data2d/filter2d/fftDimension2.js +78 -0
  95. package/lib/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  96. package/lib/datum/data2d/utils/getShift.js +1 -1
  97. package/lib/datum/data2d/utils/getShift.js.map +1 -1
  98. package/lib/multiplicity/splitPatterns.js +1 -1
  99. package/lib/multiplicity/splitPatterns.js.map +1 -1
  100. package/lib/peaks/peaksFilterImpurities.js +7 -6
  101. package/lib/peaks/peaksFilterImpurities.js.map +1 -1
  102. package/lib/peaks/peaksToRanges.js +17 -17
  103. package/lib/peaks/peaksToRanges.js.map +1 -1
  104. package/lib/peaks/solventSuppression.js +11 -11
  105. package/lib/peaks/solventSuppression.js.map +1 -1
  106. package/lib/peaks/util/addMissingIDs.js.map +1 -1
  107. package/lib/peaks/util/determineRealTop.js +32 -32
  108. package/lib/peaks/util/determineRealTop.js.map +1 -1
  109. package/lib/peaks/util/getKernel.js +4 -4
  110. package/lib/peaks/util/getKernel.js.map +1 -1
  111. package/lib/peaks/util/peakOptimizer.js +17 -17
  112. package/lib/peaks/util/peakOptimizer.js.map +1 -1
  113. package/lib/peaks/util/setIDs.js.map +1 -1
  114. package/lib/prediction/dataStructure.d.ts +1 -3
  115. package/lib/prediction/predictAll.js +2 -1
  116. package/lib/prediction/predictAll.js.map +1 -1
  117. package/lib/prediction/predictCOSY.js +1 -1
  118. package/lib/prediction/predictCOSY.js.map +1 -1
  119. package/lib/prediction/predictCarbon.js +6 -6
  120. package/lib/prediction/predictCarbon.js.map +1 -1
  121. package/lib/prediction/predictHMBC.js +1 -1
  122. package/lib/prediction/predictHMBC.js.map +1 -1
  123. package/lib/prediction/predictHSQC.js +1 -1
  124. package/lib/prediction/predictHSQC.js.map +1 -1
  125. package/lib/prediction/predictProton.js +9 -9
  126. package/lib/prediction/predictProton.js.map +1 -1
  127. package/lib/prediction/utils/getFilteredIDiaIDs.js +3 -3
  128. package/lib/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  129. package/lib/prediction/utils/getNuclei.d.ts +1 -3
  130. package/lib/prediction/utils/getNuclei.js.map +1 -1
  131. package/lib/prediction/utils/predict2D.d.ts +1 -3
  132. package/lib/prediction/utils/predict2D.js +17 -17
  133. package/lib/prediction/utils/predict2D.js.map +1 -1
  134. package/lib/prediction/utils/queryByHOSE.js +1 -1
  135. package/lib/prediction/utils/queryByHOSE.js.map +1 -1
  136. package/lib/ranges/markSolventSignal.js +8 -8
  137. package/lib/ranges/markSolventSignal.js.map +1 -1
  138. package/lib/ranges/rangesToACS.js +6 -6
  139. package/lib/ranges/rangesToACS.js.map +1 -1
  140. package/lib/ranges/rangesToXY.js +6 -6
  141. package/lib/ranges/rangesToXY.js.map +1 -1
  142. package/lib/signal/signalJoinCouplings.js +9 -9
  143. package/lib/signal/signalJoinCouplings.js.map +1 -1
  144. package/lib/signal/signalMultiplicityPattern.js +2 -2
  145. package/lib/signal/signalMultiplicityPattern.js.map +1 -1
  146. package/lib/signals/addDummySignals.js +4 -4
  147. package/lib/signals/addDummySignals.js.map +1 -1
  148. package/lib/signals/hackSignalsToXY.js +1 -1
  149. package/lib/signals/hackSignalsToXY.js.map +1 -1
  150. package/lib/signals/optimization/getInternalSignals.js +6 -6
  151. package/lib/signals/optimization/getInternalSignals.js.map +1 -1
  152. package/lib/signals/optimization/getSumOfShapes.js +1 -1
  153. package/lib/signals/optimization/getSumOfShapes.js.map +1 -1
  154. package/lib/signals/optimizeSignals.js +3 -3
  155. package/lib/signals/optimizeSignals.js.map +1 -1
  156. package/lib/signals/signals2DToZ.js +3 -2
  157. package/lib/signals/signals2DToZ.js.map +1 -1
  158. package/lib/signals/signalsJoin.js +5 -5
  159. package/lib/signals/signalsJoin.js.map +1 -1
  160. package/lib/signals/signalsToFID.js +1 -1
  161. package/lib/signals/signalsToFID.js.map +1 -1
  162. package/lib/signals/signalsToRanges.js +3 -3
  163. package/lib/signals/signalsToRanges.js.map +1 -1
  164. package/lib/signals/signalsToXY.js +3 -3
  165. package/lib/signals/signalsToXY.js.map +1 -1
  166. package/lib/signals/simulation/signalsToSpinSystem.js +2 -2
  167. package/lib/signals/simulation/signalsToSpinSystem.js.map +1 -1
  168. package/lib/signals/simulation/simulate1D.js +2 -2
  169. package/lib/signals/simulation/simulate1D.js.map +1 -1
  170. package/lib/signals/simulation/simulateXYPeaks.js +15 -17
  171. package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
  172. package/lib/signals/simulation/splitSpinSystem.js +26 -23
  173. package/lib/signals/simulation/splitSpinSystem.js.map +1 -1
  174. package/lib/signals/utils/jAnalyzer.js +38 -38
  175. package/lib/signals/utils/jAnalyzer.js.map +1 -1
  176. package/lib/types/Integrals.d.ts +1 -1
  177. package/lib/types/Peaks/Peaks.d.ts +1 -1
  178. package/lib/types/Ranges/Ranges.d.ts +1 -1
  179. package/lib/types/Zones/Zone.d.ts +1 -1
  180. package/lib/types/Zones/Zones.d.ts +1 -1
  181. package/lib/utilities/getFrequency.js +1 -1
  182. package/lib/utilities/getFrequency.js.map +1 -1
  183. package/lib/utilities/resurrectRange.js +1 -1
  184. package/lib/utilities/resurrectRange.js.map +1 -1
  185. package/lib/xy/xyAutoPeaksPicking.js +3 -3
  186. package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
  187. package/lib/xyz/quadrature.js +1 -19
  188. package/lib/xyz/quadrature.js.map +1 -1
  189. package/lib/xyz/util/fft2d/digitalFilter.js +3 -3
  190. package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -1
  191. package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +1 -1
  192. package/lib/xyz/util/fft2d/fftDirectDimension.js +3 -11
  193. package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
  194. package/lib/xyz/util/fft2d/fftIndirectDimension.d.ts +2 -4
  195. package/lib/xyz/util/fft2d/fftIndirectDimension.js +104 -50
  196. package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
  197. package/lib/xyz/util/fft2d/removeDCOffset.js +1 -1
  198. package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -1
  199. package/lib/xyz/util/fft2d/zeroFilling.js +4 -6
  200. package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -1
  201. package/lib/xyz/util/formatZone.js +3 -3
  202. package/lib/xyz/util/formatZone.js.map +1 -1
  203. package/lib/xyz/util/getMinMaxXY.d.ts +6 -0
  204. package/lib/xyz/util/getMinMaxXY.js +23 -0
  205. package/lib/xyz/util/getMinMaxXY.js.map +1 -0
  206. package/lib/xyz/util/padData.js +7 -7
  207. package/lib/xyz/util/padData.js.map +1 -1
  208. package/lib/xyz/util/phaseCorrection/applyOverImag.d.ts +24 -0
  209. package/lib/xyz/util/phaseCorrection/applyOverImag.js +27 -0
  210. package/lib/xyz/util/phaseCorrection/applyOverImag.js.map +1 -0
  211. package/lib/xyz/util/phaseCorrection/applyOverReal.d.ts +22 -0
  212. package/lib/xyz/util/phaseCorrection/applyOverReal.js +27 -0
  213. package/lib/xyz/util/phaseCorrection/applyOverReal.js.map +1 -0
  214. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.d.ts +3 -0
  215. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js +10 -0
  216. package/lib/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js.map +1 -0
  217. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.d.ts +3 -0
  218. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js +10 -0
  219. package/lib/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js.map +1 -0
  220. package/lib/xyz/util/phaseCorrection/getZMinMax.d.ts +6 -0
  221. package/lib/xyz/util/phaseCorrection/getZMinMax.js +13 -0
  222. package/lib/xyz/util/phaseCorrection/getZMinMax.js.map +1 -0
  223. package/lib/xyz/xyzAutoSignalsPicking.js +19 -18
  224. package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
  225. package/lib/xyz/xyzBidimensionalFFT.js +2 -19
  226. package/lib/xyz/xyzBidimensionalFFT.js.map +1 -1
  227. package/lib/xyz/xyzJResAnalyzer.js +21 -21
  228. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  229. package/lib/xyz/xyzPhaseCorrectionDirectDimension.d.ts +16 -0
  230. package/lib/xyz/xyzPhaseCorrectionDirectDimension.js +30 -0
  231. package/lib/xyz/xyzPhaseCorrectionDirectDimension.js.map +1 -0
  232. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.d.ts +25 -0
  233. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.js +32 -0
  234. package/lib/xyz/xyzPhaseCorrectionIndirectDimension.js.map +1 -0
  235. package/lib-esm/apodization/compose.js +1 -1
  236. package/lib-esm/apodization/compose.js.map +1 -1
  237. package/lib-esm/assignment/get13CAssignments.js +3 -3
  238. package/lib-esm/assignment/get13CAssignments.js.map +1 -1
  239. package/lib-esm/assignment/get1HAssignments.js +3 -3
  240. package/lib-esm/assignment/get1HAssignments.js.map +1 -1
  241. package/lib-esm/assignment/getAssignments.js +5 -5
  242. package/lib-esm/assignment/getAssignments.js.map +1 -1
  243. package/lib-esm/assignment/utils/addSolution.js +25 -0
  244. package/lib-esm/assignment/utils/addSolution.js.map +1 -0
  245. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.js +15 -15
  246. package/lib-esm/assignment/utils/generalAssignment/buildAssignments.js.map +1 -0
  247. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/checkIDs.js +6 -6
  248. package/lib-esm/assignment/utils/generalAssignment/checkIDs.js.map +1 -0
  249. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.js +7 -7
  250. package/lib-esm/assignment/utils/generalAssignment/createMapPossibleAssignment.js.map +1 -0
  251. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/exploreTree.js +6 -7
  252. package/lib-esm/assignment/utils/generalAssignment/exploreTree.js.map +1 -0
  253. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/formatData.js +5 -5
  254. package/lib-esm/assignment/utils/generalAssignment/formatData.js.map +1 -0
  255. package/lib-esm/assignment/utils/generalAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  256. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.js +1 -1
  257. package/lib-esm/assignment/utils/generalAssignment/getTargetsAndCorrelations.js.map +1 -0
  258. package/lib-esm/assignment/utils/generalAssignment/getWorkFlow.js.map +1 -0
  259. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.js +8 -8
  260. package/lib-esm/assignment/utils/generalAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  261. package/lib-esm/assignment/utils/generalAssignment/isSpectraData1D.js.map +1 -0
  262. package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/partialScore.js +20 -20
  263. package/lib-esm/assignment/utils/generalAssignment/partialScore.js.map +1 -0
  264. package/lib-esm/assignment/utils/generalAssignment/searchIndices.js.map +1 -0
  265. package/lib-esm/assignment/utils/{buildAssignments.js → oneDimensionalAssignment/buildAssignments.js} +4 -4
  266. package/lib-esm/assignment/utils/oneDimensionalAssignment/buildAssignments.js.map +1 -0
  267. package/lib-esm/assignment/utils/{createMapPossibleAssignments.js → oneDimensionalAssignment/createMapPossibleAssignments.js} +4 -4
  268. package/lib-esm/assignment/utils/oneDimensionalAssignment/createMapPossibleAssignments.js.map +1 -0
  269. package/lib-esm/assignment/utils/{exploreTreeRec.js → oneDimensionalAssignment/exploreTreeRec.js} +7 -8
  270. package/lib-esm/assignment/utils/oneDimensionalAssignment/exploreTreeRec.js.map +1 -0
  271. package/lib-esm/assignment/utils/{partialScore.js → oneDimensionalAssignment/partialScore.js} +9 -9
  272. package/lib-esm/assignment/utils/oneDimensionalAssignment/partialScore.js.map +1 -0
  273. package/lib-esm/constants/SignalsKinds.js.map +1 -1
  274. package/lib-esm/constants/couplingValues.js.map +1 -1
  275. package/lib-esm/constants/degreeToRadians.js +2 -0
  276. package/lib-esm/constants/degreeToRadians.js.map +1 -0
  277. package/lib-esm/constants/impurities.js +2 -1
  278. package/lib-esm/constants/impurities.js.map +1 -1
  279. package/lib-esm/databases/getDatabase.js +1 -1
  280. package/lib-esm/databases/getDatabase.js.map +1 -1
  281. package/lib-esm/datum/Filters.js +4 -0
  282. package/lib-esm/datum/Filters.js.map +1 -1
  283. package/lib-esm/datum/FiltersManager.js +2 -2
  284. package/lib-esm/datum/FiltersManager.js.map +1 -1
  285. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +4 -4
  286. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  287. package/lib-esm/datum/data1d/filter1d/digitalFilter.js +2 -2
  288. package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  289. package/lib-esm/datum/data1d/filter1d/fft.js +7 -7
  290. package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
  291. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +3 -3
  292. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  293. package/lib-esm/datum/data1d/filter1d/signalProcessing.js +1 -1
  294. package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -1
  295. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +2 -2
  296. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  297. package/lib-esm/datum/data1d/filter1d/zeroFilling.js +8 -8
  298. package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  299. package/lib-esm/datum/data1d/utils/mapPeaks.js +1 -1
  300. package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -1
  301. package/lib-esm/datum/data2d/filter2d/fftDimension1.js +63 -0
  302. package/lib-esm/datum/data2d/filter2d/fftDimension1.js.map +1 -0
  303. package/lib-esm/datum/data2d/filter2d/fftDimension2.js +72 -0
  304. package/lib-esm/datum/data2d/filter2d/fftDimension2.js.map +1 -0
  305. package/lib-esm/datum/data2d/utils/getShift.js +1 -1
  306. package/lib-esm/datum/data2d/utils/getShift.js.map +1 -1
  307. package/lib-esm/multiplicity/splitPatterns.js +1 -1
  308. package/lib-esm/multiplicity/splitPatterns.js.map +1 -1
  309. package/lib-esm/peaks/peaksFilterImpurities.js +7 -6
  310. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  311. package/lib-esm/peaks/peaksToRanges.js +17 -17
  312. package/lib-esm/peaks/peaksToRanges.js.map +1 -1
  313. package/lib-esm/peaks/solventSuppression.js +11 -11
  314. package/lib-esm/peaks/solventSuppression.js.map +1 -1
  315. package/lib-esm/peaks/util/addMissingIDs.js.map +1 -1
  316. package/lib-esm/peaks/util/determineRealTop.js +32 -32
  317. package/lib-esm/peaks/util/determineRealTop.js.map +1 -1
  318. package/lib-esm/peaks/util/getKernel.js +4 -4
  319. package/lib-esm/peaks/util/getKernel.js.map +1 -1
  320. package/lib-esm/peaks/util/peakOptimizer.js +17 -17
  321. package/lib-esm/peaks/util/peakOptimizer.js.map +1 -1
  322. package/lib-esm/peaks/util/setIDs.js.map +1 -1
  323. package/lib-esm/prediction/predictAll.js +2 -1
  324. package/lib-esm/prediction/predictAll.js.map +1 -1
  325. package/lib-esm/prediction/predictCOSY.js +1 -1
  326. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  327. package/lib-esm/prediction/predictCarbon.js +6 -6
  328. package/lib-esm/prediction/predictCarbon.js.map +1 -1
  329. package/lib-esm/prediction/predictHMBC.js +1 -1
  330. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  331. package/lib-esm/prediction/predictHSQC.js +1 -1
  332. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  333. package/lib-esm/prediction/predictProton.js +9 -9
  334. package/lib-esm/prediction/predictProton.js.map +1 -1
  335. package/lib-esm/prediction/utils/getFilteredIDiaIDs.js +3 -3
  336. package/lib-esm/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  337. package/lib-esm/prediction/utils/getNuclei.js.map +1 -1
  338. package/lib-esm/prediction/utils/predict2D.js +17 -17
  339. package/lib-esm/prediction/utils/predict2D.js.map +1 -1
  340. package/lib-esm/prediction/utils/queryByHOSE.js +1 -1
  341. package/lib-esm/prediction/utils/queryByHOSE.js.map +1 -1
  342. package/lib-esm/ranges/markSolventSignal.js +8 -8
  343. package/lib-esm/ranges/markSolventSignal.js.map +1 -1
  344. package/lib-esm/ranges/rangesToACS.js +6 -6
  345. package/lib-esm/ranges/rangesToACS.js.map +1 -1
  346. package/lib-esm/ranges/rangesToXY.js +6 -6
  347. package/lib-esm/ranges/rangesToXY.js.map +1 -1
  348. package/lib-esm/signal/signalJoinCouplings.js +9 -9
  349. package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
  350. package/lib-esm/signal/signalMultiplicityPattern.js +2 -2
  351. package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
  352. package/lib-esm/signals/addDummySignals.js +4 -4
  353. package/lib-esm/signals/addDummySignals.js.map +1 -1
  354. package/lib-esm/signals/hackSignalsToXY.js +1 -1
  355. package/lib-esm/signals/hackSignalsToXY.js.map +1 -1
  356. package/lib-esm/signals/optimization/getInternalSignals.js +6 -6
  357. package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
  358. package/lib-esm/signals/optimization/getSumOfShapes.js +1 -1
  359. package/lib-esm/signals/optimization/getSumOfShapes.js.map +1 -1
  360. package/lib-esm/signals/optimizeSignals.js +3 -3
  361. package/lib-esm/signals/optimizeSignals.js.map +1 -1
  362. package/lib-esm/signals/signals2DToZ.js +3 -2
  363. package/lib-esm/signals/signals2DToZ.js.map +1 -1
  364. package/lib-esm/signals/signalsJoin.js +5 -5
  365. package/lib-esm/signals/signalsJoin.js.map +1 -1
  366. package/lib-esm/signals/signalsToFID.js +1 -1
  367. package/lib-esm/signals/signalsToFID.js.map +1 -1
  368. package/lib-esm/signals/signalsToRanges.js +3 -3
  369. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  370. package/lib-esm/signals/signalsToXY.js +3 -3
  371. package/lib-esm/signals/signalsToXY.js.map +1 -1
  372. package/lib-esm/signals/simulation/signalsToSpinSystem.js +2 -2
  373. package/lib-esm/signals/simulation/signalsToSpinSystem.js.map +1 -1
  374. package/lib-esm/signals/simulation/simulate1D.js +2 -2
  375. package/lib-esm/signals/simulation/simulate1D.js.map +1 -1
  376. package/lib-esm/signals/simulation/simulateXYPeaks.js +15 -17
  377. package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
  378. package/lib-esm/signals/simulation/splitSpinSystem.js +26 -23
  379. package/lib-esm/signals/simulation/splitSpinSystem.js.map +1 -1
  380. package/lib-esm/signals/utils/jAnalyzer.js +38 -38
  381. package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
  382. package/lib-esm/utilities/getFrequency.js +1 -1
  383. package/lib-esm/utilities/getFrequency.js.map +1 -1
  384. package/lib-esm/utilities/resurrectRange.js +1 -1
  385. package/lib-esm/utilities/resurrectRange.js.map +1 -1
  386. package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
  387. package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
  388. package/lib-esm/xyz/quadrature.js +2 -20
  389. package/lib-esm/xyz/quadrature.js.map +1 -1
  390. package/lib-esm/xyz/util/fft2d/digitalFilter.js +3 -3
  391. package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -1
  392. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +4 -12
  393. package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -1
  394. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +104 -50
  395. package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -1
  396. package/lib-esm/xyz/util/fft2d/removeDCOffset.js +1 -1
  397. package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -1
  398. package/lib-esm/xyz/util/fft2d/zeroFilling.js +4 -6
  399. package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -1
  400. package/lib-esm/xyz/util/formatZone.js +3 -3
  401. package/lib-esm/xyz/util/formatZone.js.map +1 -1
  402. package/lib-esm/xyz/util/getMinMaxXY.js +19 -0
  403. package/lib-esm/xyz/util/getMinMaxXY.js.map +1 -0
  404. package/lib-esm/xyz/util/padData.js +7 -7
  405. package/lib-esm/xyz/util/padData.js.map +1 -1
  406. package/lib-esm/xyz/util/phaseCorrection/applyOverImag.js +20 -0
  407. package/lib-esm/xyz/util/phaseCorrection/applyOverImag.js.map +1 -0
  408. package/lib-esm/xyz/util/phaseCorrection/applyOverReal.js +20 -0
  409. package/lib-esm/xyz/util/phaseCorrection/applyOverReal.js.map +1 -0
  410. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js +6 -0
  411. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DFourQuad.js.map +1 -0
  412. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js +6 -0
  413. package/lib-esm/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.js.map +1 -0
  414. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js +9 -0
  415. package/lib-esm/xyz/util/phaseCorrection/getZMinMax.js.map +1 -0
  416. package/lib-esm/xyz/xyzAutoSignalsPicking.js +19 -18
  417. package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
  418. package/lib-esm/xyz/xyzBidimensionalFFT.js +1 -18
  419. package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -1
  420. package/lib-esm/xyz/xyzJResAnalyzer.js +21 -21
  421. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  422. package/lib-esm/xyz/xyzPhaseCorrectionDirectDimension.js +26 -0
  423. package/lib-esm/xyz/xyzPhaseCorrectionDirectDimension.js.map +1 -0
  424. package/lib-esm/xyz/xyzPhaseCorrectionIndirectDimension.js +28 -0
  425. package/lib-esm/xyz/xyzPhaseCorrectionIndirectDimension.js.map +1 -0
  426. package/package.json +4 -4
  427. package/src/apodization/compose.ts +1 -1
  428. package/src/assignment/get13CAssignments.ts +6 -3
  429. package/src/assignment/get1HAssignments.ts +7 -6
  430. package/src/assignment/getAssignments.ts +7 -7
  431. package/src/assignment/nmrAssigment.ts +2 -2
  432. package/src/assignment/utils/addSolution.ts +45 -0
  433. package/src/assignment/utils/{getAssignment → generalAssignment}/buildAssignments.ts +29 -36
  434. package/src/assignment/utils/{getAssignment → generalAssignment}/checkIDs.ts +6 -6
  435. package/src/assignment/utils/{getAssignment → generalAssignment}/createMapPossibleAssignment.ts +10 -14
  436. package/src/assignment/utils/{getAssignment → generalAssignment}/exploreTree.ts +7 -8
  437. package/src/assignment/utils/{getAssignment → generalAssignment}/formatData.ts +5 -5
  438. package/src/assignment/utils/{getAssignment → generalAssignment}/getTargetsAndCorrelations.ts +3 -5
  439. package/src/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.ts +2 -5
  440. package/src/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.ts +8 -8
  441. package/src/assignment/utils/{getAssignment → generalAssignment}/partialScore.ts +25 -29
  442. package/src/assignment/utils/{buildAssignments.ts → oneDimensionalAssignment/buildAssignments.ts} +6 -8
  443. package/src/assignment/utils/{createMapPossibleAssignments.ts → oneDimensionalAssignment/createMapPossibleAssignments.ts} +9 -9
  444. package/src/assignment/utils/{exploreTreeRec.ts → oneDimensionalAssignment/exploreTreeRec.ts} +8 -9
  445. package/src/assignment/utils/{partialScore.ts → oneDimensionalAssignment/partialScore.ts} +10 -12
  446. package/src/constants/SignalsKinds.ts +1 -1
  447. package/src/constants/couplingValues.ts +1 -1
  448. package/src/constants/degreeToRadians.ts +1 -0
  449. package/src/constants/impurities.ts +14 -15
  450. package/src/databases/getDatabase.ts +1 -1
  451. package/src/datum/Filters.ts +4 -0
  452. package/src/datum/FiltersManager.ts +3 -3
  453. package/src/datum/MatrixOptions.ts +1 -1
  454. package/src/datum/data1d/Entry1D.ts +1 -1
  455. package/src/datum/data1d/filter1d/baselineCorrection.ts +4 -4
  456. package/src/datum/data1d/filter1d/digitalFilter.ts +2 -2
  457. package/src/datum/data1d/filter1d/fft.ts +7 -7
  458. package/src/datum/data1d/filter1d/phaseCorrection.ts +3 -3
  459. package/src/datum/data1d/filter1d/signalProcessing.ts +1 -1
  460. package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +2 -2
  461. package/src/datum/data1d/filter1d/zeroFilling.ts +10 -9
  462. package/src/datum/data1d/utils/mapPeaks.ts +1 -1
  463. package/src/datum/data2d/Entry2D.ts +1 -1
  464. package/src/datum/data2d/filter2d/fftDimension1.ts +93 -0
  465. package/src/datum/data2d/filter2d/fftDimension2.ts +94 -0
  466. package/src/datum/data2d/utils/getShift.ts +1 -1
  467. package/src/ml-tree-set.d.ts +1 -1
  468. package/src/multiplicity/splitPatterns.ts +1 -1
  469. package/src/peaks/peaksFilterImpurities.ts +7 -6
  470. package/src/peaks/peaksToRanges.ts +19 -18
  471. package/src/peaks/solventSuppression.ts +11 -11
  472. package/src/peaks/util/addMissingIDs.ts +1 -1
  473. package/src/peaks/util/determineRealTop.ts +32 -32
  474. package/src/peaks/util/getKernel.ts +4 -4
  475. package/src/peaks/util/peakOptimizer.ts +17 -17
  476. package/src/peaks/util/setIDs.ts +6 -4
  477. package/src/prediction/dataStructure.ts +1 -3
  478. package/src/prediction/predictAll.ts +3 -2
  479. package/src/prediction/predictCOSY.ts +1 -1
  480. package/src/prediction/predictCarbon.ts +6 -6
  481. package/src/prediction/predictHMBC.ts +1 -1
  482. package/src/prediction/predictHSQC.ts +1 -1
  483. package/src/prediction/predictProton.ts +9 -9
  484. package/src/prediction/utils/getFilteredIDiaIDs.ts +3 -3
  485. package/src/prediction/utils/getNuclei.ts +2 -2
  486. package/src/prediction/utils/predict2D.ts +21 -25
  487. package/src/prediction/utils/queryByHOSE.ts +1 -1
  488. package/src/ranges/markSolventSignal.ts +8 -8
  489. package/src/ranges/rangesToACS.ts +6 -6
  490. package/src/ranges/rangesToXY.ts +6 -6
  491. package/src/signal/signalJoinCouplings.ts +9 -9
  492. package/src/signal/signalMultiplicityPattern.ts +2 -2
  493. package/src/signals/addDummySignals.ts +4 -4
  494. package/src/signals/hackSignalsToXY.ts +1 -1
  495. package/src/signals/optimization/getInternalSignals.ts +6 -6
  496. package/src/signals/optimization/getSumOfShapes.ts +1 -1
  497. package/src/signals/optimizeSignals.ts +3 -3
  498. package/src/signals/signals2DToZ.ts +4 -8
  499. package/src/signals/signalsJoin.ts +5 -5
  500. package/src/signals/signalsToFID.ts +1 -1
  501. package/src/signals/signalsToRanges.ts +3 -3
  502. package/src/signals/signalsToXY.ts +3 -3
  503. package/src/signals/simulation/signalsToSpinSystem.ts +3 -5
  504. package/src/signals/simulation/simulate1D.ts +2 -2
  505. package/src/signals/simulation/simulateXYPeaks.ts +16 -17
  506. package/src/signals/simulation/splitSpinSystem.ts +28 -25
  507. package/src/signals/utils/jAnalyzer.ts +38 -38
  508. package/src/types/Integrals.ts +1 -1
  509. package/src/types/Peaks/Peaks.ts +1 -1
  510. package/src/types/Ranges/Ranges.ts +1 -1
  511. package/src/types/Zones/Zone.ts +1 -1
  512. package/src/types/Zones/Zones.ts +1 -1
  513. package/src/utilities/getFrequency.ts +1 -1
  514. package/src/utilities/resurrectRange.ts +1 -1
  515. package/src/xy/xyAutoPeaksPicking.ts +3 -3
  516. package/src/xyz/quadrature.ts +2 -27
  517. package/src/xyz/util/fft2d/digitalFilter.ts +3 -3
  518. package/src/xyz/util/fft2d/fftDirectDimension.ts +4 -23
  519. package/src/xyz/util/fft2d/fftIndirectDimension.ts +123 -73
  520. package/src/xyz/util/fft2d/removeDCOffset.ts +1 -1
  521. package/src/xyz/util/fft2d/zeroFilling.ts +5 -6
  522. package/src/xyz/util/formatZone.ts +3 -3
  523. package/src/xyz/util/getMinMaxXY.ts +19 -0
  524. package/src/xyz/util/padData.ts +7 -7
  525. package/src/xyz/util/phaseCorrection/applyOverImag.ts +29 -0
  526. package/src/xyz/util/phaseCorrection/applyOverReal.ts +29 -0
  527. package/src/xyz/util/phaseCorrection/checkNmrData2DFourQuad.ts +12 -0
  528. package/src/xyz/util/phaseCorrection/checkNmrData2DTwoQuad.ts +11 -0
  529. package/src/xyz/util/phaseCorrection/getZMinMax.ts +10 -0
  530. package/src/xyz/xyzAutoSignalsPicking.ts +20 -19
  531. package/src/xyz/xyzBidimensionalFFT.ts +1 -20
  532. package/src/xyz/xyzJResAnalyzer.ts +21 -21
  533. package/src/xyz/xyzPhaseCorrectionDirectDimension.ts +52 -0
  534. package/src/xyz/xyzPhaseCorrectionIndirectDimension.ts +45 -0
  535. package/lib/assignment/utils/buildAssignments.js.map +0 -1
  536. package/lib/assignment/utils/createMapPossibleAssignments.js.map +0 -1
  537. package/lib/assignment/utils/exploreTreeRec.js.map +0 -1
  538. package/lib/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
  539. package/lib/assignment/utils/getAssignment/checkIDs.js.map +0 -1
  540. package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
  541. package/lib/assignment/utils/getAssignment/exploreTree.js.map +0 -1
  542. package/lib/assignment/utils/getAssignment/formatData.js.map +0 -1
  543. package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
  544. package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
  545. package/lib/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
  546. package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
  547. package/lib/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
  548. package/lib/assignment/utils/getAssignment/partialScore.js.map +0 -1
  549. package/lib/assignment/utils/getAssignment/searchIndices.js.map +0 -1
  550. package/lib/assignment/utils/partialScore.js.map +0 -1
  551. package/lib-esm/assignment/utils/buildAssignments.js.map +0 -1
  552. package/lib-esm/assignment/utils/createMapPossibleAssignments.js.map +0 -1
  553. package/lib-esm/assignment/utils/exploreTreeRec.js.map +0 -1
  554. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +0 -1
  555. package/lib-esm/assignment/utils/getAssignment/checkIDs.js.map +0 -1
  556. package/lib-esm/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +0 -1
  557. package/lib-esm/assignment/utils/getAssignment/exploreTree.js.map +0 -1
  558. package/lib-esm/assignment/utils/getAssignment/formatData.js.map +0 -1
  559. package/lib-esm/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +0 -1
  560. package/lib-esm/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +0 -1
  561. package/lib-esm/assignment/utils/getAssignment/getWorkFlow.js.map +0 -1
  562. package/lib-esm/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +0 -1
  563. package/lib-esm/assignment/utils/getAssignment/isSpectraData1D.js.map +0 -1
  564. package/lib-esm/assignment/utils/getAssignment/partialScore.js.map +0 -1
  565. package/lib-esm/assignment/utils/getAssignment/searchIndices.js.map +0 -1
  566. package/lib-esm/assignment/utils/partialScore.js.map +0 -1
  567. /package/lib/assignment/utils/{getAssignment → generalAssignment}/checkIDs.d.ts +0 -0
  568. /package/lib/assignment/utils/{getAssignment → generalAssignment}/formatData.d.ts +0 -0
  569. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.d.ts +0 -0
  570. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
  571. /package/lib/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
  572. /package/lib/assignment/utils/{getAssignment → generalAssignment}/groupCarbonTargetByIntegrationZone.d.ts +0 -0
  573. /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.d.ts +0 -0
  574. /package/lib/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
  575. /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.d.ts +0 -0
  576. /package/lib/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
  577. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.js +0 -0
  578. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/getWorkFlow.js +0 -0
  579. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.js +0 -0
  580. /package/lib-esm/assignment/utils/{getAssignment → generalAssignment}/searchIndices.js +0 -0
  581. /package/src/assignment/utils/{getAssignment → generalAssignment}/getIntegrationOfAttachedProtons.ts +0 -0
  582. /package/src/assignment/utils/{getAssignment → generalAssignment}/isSpectraData1D.ts +0 -0
  583. /package/src/assignment/utils/{getAssignment → generalAssignment}/searchIndices.ts +0 -0
@@ -1,9 +1,1511 @@
1
- export interface SolventImpurities {
2
- [key: string]: Impurity;
3
- }
4
- export interface Impurity {
5
- [key: string]: ImpuritySignal[];
6
- }
1
+ declare const impuritiesContent: {
2
+ cdcl3: {
3
+ tms: {
4
+ proton: string;
5
+ coupling: number;
6
+ multiplicity: string;
7
+ shift: number;
8
+ }[];
9
+ solvent: {
10
+ proton: string;
11
+ coupling: number;
12
+ multiplicity: string;
13
+ shift: number;
14
+ }[];
15
+ h2o: {
16
+ proton: string;
17
+ coupling: number;
18
+ multiplicity: string;
19
+ shift: number;
20
+ }[];
21
+ acetic_acid: {
22
+ proton: string;
23
+ coupling: number;
24
+ multiplicity: string;
25
+ shift: number;
26
+ }[];
27
+ acetone: {
28
+ proton: string;
29
+ coupling: number;
30
+ multiplicity: string;
31
+ shift: number;
32
+ }[];
33
+ acetonitrile: {
34
+ proton: string;
35
+ coupling: number;
36
+ multiplicity: string;
37
+ shift: number;
38
+ }[];
39
+ benzene: {
40
+ proton: string;
41
+ coupling: number;
42
+ multiplicity: string;
43
+ shift: number;
44
+ }[];
45
+ 'tert-butyl_alcohol': {
46
+ proton: string;
47
+ coupling: number;
48
+ multiplicity: string;
49
+ shift: number;
50
+ }[];
51
+ 'tert-butyl_methyl_ether': {
52
+ proton: string;
53
+ coupling: number;
54
+ multiplicity: string;
55
+ shift: number;
56
+ }[];
57
+ bhtb: {
58
+ proton: string;
59
+ coupling: number;
60
+ multiplicity: string;
61
+ shift: number;
62
+ }[];
63
+ chloroform: {
64
+ proton: string;
65
+ coupling: number;
66
+ multiplicity: string;
67
+ shift: number;
68
+ }[];
69
+ cyclohexane: {
70
+ proton: string;
71
+ coupling: number;
72
+ multiplicity: string;
73
+ shift: number;
74
+ }[];
75
+ '1,2-dichloroethane': {
76
+ proton: string;
77
+ coupling: number;
78
+ multiplicity: string;
79
+ shift: number;
80
+ }[];
81
+ dichloromethane: {
82
+ proton: string;
83
+ coupling: number;
84
+ multiplicity: string;
85
+ shift: number;
86
+ }[];
87
+ diethyl_ether: {
88
+ proton: string;
89
+ coupling: number;
90
+ multiplicity: string;
91
+ shift: number;
92
+ }[];
93
+ diglyme: {
94
+ proton: string;
95
+ coupling: number;
96
+ multiplicity: string;
97
+ shift: number;
98
+ }[];
99
+ '1,2-dimethoxyethane': {
100
+ proton: string;
101
+ coupling: number;
102
+ multiplicity: string;
103
+ shift: number;
104
+ }[];
105
+ dimethylacetamide: {
106
+ proton: string;
107
+ coupling: number;
108
+ multiplicity: string;
109
+ shift: number;
110
+ }[];
111
+ dimethylformamide: {
112
+ proton: string;
113
+ coupling: number;
114
+ multiplicity: string;
115
+ shift: number;
116
+ }[];
117
+ dimethyl_sulfoxide: {
118
+ proton: string;
119
+ coupling: number;
120
+ multiplicity: string;
121
+ shift: number;
122
+ }[];
123
+ dioxane: {
124
+ proton: string;
125
+ coupling: number;
126
+ multiplicity: string;
127
+ shift: number;
128
+ }[];
129
+ ethanol: {
130
+ proton: string;
131
+ coupling: number;
132
+ multiplicity: string;
133
+ shift: number;
134
+ }[];
135
+ ethyl_acetate: {
136
+ proton: string;
137
+ coupling: number;
138
+ multiplicity: string;
139
+ shift: number;
140
+ }[];
141
+ ethyl_methyl_ketone: {
142
+ proton: string;
143
+ coupling: number;
144
+ multiplicity: string;
145
+ shift: number;
146
+ }[];
147
+ ethylene_glycol: {
148
+ proton: string;
149
+ coupling: number;
150
+ multiplicity: string;
151
+ shift: number;
152
+ }[];
153
+ 'grease^f': {
154
+ proton: string;
155
+ coupling: number;
156
+ multiplicity: string;
157
+ shift: number;
158
+ }[];
159
+ 'n-hexane': {
160
+ proton: string;
161
+ coupling: number;
162
+ multiplicity: string;
163
+ shift: number;
164
+ }[];
165
+ hmpag: {
166
+ proton: string;
167
+ coupling: number;
168
+ multiplicity: string;
169
+ shift: number;
170
+ }[];
171
+ methanol: {
172
+ proton: string;
173
+ coupling: number;
174
+ multiplicity: string;
175
+ shift: number;
176
+ }[];
177
+ nitromethane: {
178
+ proton: string;
179
+ coupling: number;
180
+ multiplicity: string;
181
+ shift: number;
182
+ }[];
183
+ 'n-pentane': {
184
+ proton: string;
185
+ coupling: number;
186
+ multiplicity: string;
187
+ shift: number;
188
+ }[];
189
+ '2-propanol': {
190
+ proton: string;
191
+ coupling: number;
192
+ multiplicity: string;
193
+ shift: number;
194
+ }[];
195
+ pyridine: {
196
+ proton: string;
197
+ coupling: number;
198
+ multiplicity: string;
199
+ shift: number;
200
+ }[];
201
+ silicone_greasei: {
202
+ proton: string;
203
+ coupling: number;
204
+ multiplicity: string;
205
+ shift: number;
206
+ }[];
207
+ tetrahydrofuran: {
208
+ proton: string;
209
+ coupling: number;
210
+ multiplicity: string;
211
+ shift: number;
212
+ }[];
213
+ toluene: {
214
+ proton: string;
215
+ coupling: number;
216
+ multiplicity: string;
217
+ shift: number;
218
+ }[];
219
+ triethylamine: {
220
+ proton: string;
221
+ coupling: number;
222
+ multiplicity: string;
223
+ shift: number;
224
+ }[];
225
+ };
226
+ '(cd3)2co': {
227
+ tms: {
228
+ proton: string;
229
+ coupling: number;
230
+ multiplicity: string;
231
+ shift: number;
232
+ }[];
233
+ solvent: {
234
+ proton: string;
235
+ coupling: number;
236
+ multiplicity: string;
237
+ shift: number;
238
+ }[];
239
+ h2o: {
240
+ proton: string;
241
+ coupling: number;
242
+ multiplicity: string;
243
+ shift: number;
244
+ }[];
245
+ acetic_acid: {
246
+ proton: string;
247
+ coupling: number;
248
+ multiplicity: string;
249
+ shift: number;
250
+ }[];
251
+ acetone: {
252
+ proton: string;
253
+ coupling: number;
254
+ multiplicity: string;
255
+ shift: number;
256
+ }[];
257
+ acetonitrile: {
258
+ proton: string;
259
+ coupling: number;
260
+ multiplicity: string;
261
+ shift: number;
262
+ }[];
263
+ benzene: {
264
+ proton: string;
265
+ coupling: number;
266
+ multiplicity: string;
267
+ shift: number;
268
+ }[];
269
+ 'tert-butyl_alcohol': {
270
+ proton: string;
271
+ coupling: number;
272
+ multiplicity: string;
273
+ shift: number;
274
+ }[];
275
+ 'tert-butyl_methyl_ether': {
276
+ proton: string;
277
+ coupling: number;
278
+ multiplicity: string;
279
+ shift: number;
280
+ }[];
281
+ bhtb: {
282
+ proton: string;
283
+ coupling: number;
284
+ multiplicity: string;
285
+ shift: number;
286
+ }[];
287
+ chloroform: {
288
+ proton: string;
289
+ coupling: number;
290
+ multiplicity: string;
291
+ shift: number;
292
+ }[];
293
+ cyclohexane: {
294
+ proton: string;
295
+ coupling: number;
296
+ multiplicity: string;
297
+ shift: number;
298
+ }[];
299
+ '1,2-dichloroethane': {
300
+ proton: string;
301
+ coupling: number;
302
+ multiplicity: string;
303
+ shift: number;
304
+ }[];
305
+ dichloromethane: {
306
+ proton: string;
307
+ coupling: number;
308
+ multiplicity: string;
309
+ shift: number;
310
+ }[];
311
+ diethyl_ether: {
312
+ proton: string;
313
+ coupling: number;
314
+ multiplicity: string;
315
+ shift: number;
316
+ }[];
317
+ diglyme: {
318
+ proton: string;
319
+ coupling: number;
320
+ multiplicity: string;
321
+ shift: number;
322
+ }[];
323
+ '1,2-dimethoxyethane': {
324
+ proton: string;
325
+ coupling: number;
326
+ multiplicity: string;
327
+ shift: number;
328
+ }[];
329
+ dimethylacetamide: {
330
+ proton: string;
331
+ coupling: number;
332
+ multiplicity: string;
333
+ shift: number;
334
+ }[];
335
+ dimethylformamide: {
336
+ proton: string;
337
+ coupling: number;
338
+ multiplicity: string;
339
+ shift: number;
340
+ }[];
341
+ dimethyl_sulfoxide: {
342
+ proton: string;
343
+ coupling: number;
344
+ multiplicity: string;
345
+ shift: number;
346
+ }[];
347
+ dioxane: {
348
+ proton: string;
349
+ coupling: number;
350
+ multiplicity: string;
351
+ shift: number;
352
+ }[];
353
+ ethanol: {
354
+ proton: string;
355
+ coupling: number;
356
+ multiplicity: string;
357
+ shift: number;
358
+ }[];
359
+ ethyl_acetate: {
360
+ proton: string;
361
+ coupling: number;
362
+ multiplicity: string;
363
+ shift: number;
364
+ }[];
365
+ ethyl_methyl_ketone: {
366
+ proton: string;
367
+ coupling: number;
368
+ multiplicity: string;
369
+ shift: number;
370
+ }[];
371
+ ethylene_glycol: {
372
+ proton: string;
373
+ coupling: number;
374
+ multiplicity: string;
375
+ shift: number;
376
+ }[];
377
+ 'grease^f': {
378
+ proton: string;
379
+ coupling: number;
380
+ multiplicity: string;
381
+ shift: number;
382
+ }[];
383
+ 'n-hexane': {
384
+ proton: string;
385
+ coupling: number;
386
+ multiplicity: string;
387
+ shift: number;
388
+ }[];
389
+ hmpag: {
390
+ proton: string;
391
+ coupling: number;
392
+ multiplicity: string;
393
+ shift: number;
394
+ }[];
395
+ methanol: {
396
+ proton: string;
397
+ coupling: number;
398
+ multiplicity: string;
399
+ shift: number;
400
+ }[];
401
+ nitromethane: {
402
+ proton: string;
403
+ coupling: number;
404
+ multiplicity: string;
405
+ shift: number;
406
+ }[];
407
+ 'n-pentane': {
408
+ proton: string;
409
+ coupling: number;
410
+ multiplicity: string;
411
+ shift: number;
412
+ }[];
413
+ '2-propanol': {
414
+ proton: string;
415
+ coupling: number;
416
+ multiplicity: string;
417
+ shift: number;
418
+ }[];
419
+ pyridine: {
420
+ proton: string;
421
+ coupling: number;
422
+ multiplicity: string;
423
+ shift: number;
424
+ }[];
425
+ silicone_greasei: {
426
+ proton: string;
427
+ coupling: number;
428
+ multiplicity: string;
429
+ shift: number;
430
+ }[];
431
+ tetrahydrofuran: {
432
+ proton: string;
433
+ coupling: number;
434
+ multiplicity: string;
435
+ shift: number;
436
+ }[];
437
+ toluene: {
438
+ proton: string;
439
+ coupling: number;
440
+ multiplicity: string;
441
+ shift: number;
442
+ }[];
443
+ triethylamine: {
444
+ proton: string;
445
+ coupling: number;
446
+ multiplicity: string;
447
+ shift: number;
448
+ }[];
449
+ };
450
+ dmso: {
451
+ tms: {
452
+ proton: string;
453
+ coupling: number;
454
+ multiplicity: string;
455
+ shift: number;
456
+ }[];
457
+ solvent: {
458
+ proton: string;
459
+ coupling: number;
460
+ multiplicity: string;
461
+ shift: number;
462
+ }[];
463
+ h2o: {
464
+ proton: string;
465
+ coupling: number;
466
+ multiplicity: string;
467
+ shift: number;
468
+ }[];
469
+ acetic_acid: {
470
+ proton: string;
471
+ coupling: number;
472
+ multiplicity: string;
473
+ shift: number;
474
+ }[];
475
+ acetone: {
476
+ proton: string;
477
+ coupling: number;
478
+ multiplicity: string;
479
+ shift: number;
480
+ }[];
481
+ acetonitrile: {
482
+ proton: string;
483
+ coupling: number;
484
+ multiplicity: string;
485
+ shift: number;
486
+ }[];
487
+ benzene: {
488
+ proton: string;
489
+ coupling: number;
490
+ multiplicity: string;
491
+ shift: number;
492
+ }[];
493
+ 'tert-butyl_alcohol': {
494
+ proton: string;
495
+ coupling: number;
496
+ multiplicity: string;
497
+ shift: number;
498
+ }[];
499
+ 'tert-butyl_methyl_ether': {
500
+ proton: string;
501
+ coupling: number;
502
+ multiplicity: string;
503
+ shift: number;
504
+ }[];
505
+ bhtb: {
506
+ proton: string;
507
+ coupling: number;
508
+ multiplicity: string;
509
+ shift: number;
510
+ }[];
511
+ chloroform: {
512
+ proton: string;
513
+ coupling: number;
514
+ multiplicity: string;
515
+ shift: number;
516
+ }[];
517
+ cyclohexane: {
518
+ proton: string;
519
+ coupling: number;
520
+ multiplicity: string;
521
+ shift: number;
522
+ }[];
523
+ '1,2-dichloroethane': {
524
+ proton: string;
525
+ coupling: number;
526
+ multiplicity: string;
527
+ shift: number;
528
+ }[];
529
+ dichloromethane: {
530
+ proton: string;
531
+ coupling: number;
532
+ multiplicity: string;
533
+ shift: number;
534
+ }[];
535
+ diethyl_ether: {
536
+ proton: string;
537
+ coupling: number;
538
+ multiplicity: string;
539
+ shift: number;
540
+ }[];
541
+ diglyme: {
542
+ proton: string;
543
+ coupling: number;
544
+ multiplicity: string;
545
+ shift: number;
546
+ }[];
547
+ '1,2-dimethoxyethane': {
548
+ proton: string;
549
+ coupling: number;
550
+ multiplicity: string;
551
+ shift: number;
552
+ }[];
553
+ dimethylacetamide: {
554
+ proton: string;
555
+ coupling: number;
556
+ multiplicity: string;
557
+ shift: number;
558
+ }[];
559
+ dimethylformamide: {
560
+ proton: string;
561
+ coupling: number;
562
+ multiplicity: string;
563
+ shift: number;
564
+ }[];
565
+ dimethyl_sulfoxide: {
566
+ proton: string;
567
+ coupling: number;
568
+ multiplicity: string;
569
+ shift: number;
570
+ }[];
571
+ dioxane: {
572
+ proton: string;
573
+ coupling: number;
574
+ multiplicity: string;
575
+ shift: number;
576
+ }[];
577
+ ethanol: {
578
+ proton: string;
579
+ coupling: number;
580
+ multiplicity: string;
581
+ shift: number;
582
+ }[];
583
+ ethyl_acetate: {
584
+ proton: string;
585
+ coupling: number;
586
+ multiplicity: string;
587
+ shift: number;
588
+ }[];
589
+ ethyl_methyl_ketone: {
590
+ proton: string;
591
+ coupling: number;
592
+ multiplicity: string;
593
+ shift: number;
594
+ }[];
595
+ ethylene_glycol: {
596
+ proton: string;
597
+ coupling: number;
598
+ multiplicity: string;
599
+ shift: number;
600
+ }[];
601
+ 'grease^f': never[];
602
+ 'n-hexane': {
603
+ proton: string;
604
+ coupling: number;
605
+ multiplicity: string;
606
+ shift: number;
607
+ }[];
608
+ hmpag: {
609
+ proton: string;
610
+ coupling: number;
611
+ multiplicity: string;
612
+ shift: number;
613
+ }[];
614
+ methanol: {
615
+ proton: string;
616
+ coupling: number;
617
+ multiplicity: string;
618
+ shift: number;
619
+ }[];
620
+ nitromethane: {
621
+ proton: string;
622
+ coupling: number;
623
+ multiplicity: string;
624
+ shift: number;
625
+ }[];
626
+ 'n-pentane': {
627
+ proton: string;
628
+ coupling: number;
629
+ multiplicity: string;
630
+ shift: number;
631
+ }[];
632
+ '2-propanol': {
633
+ proton: string;
634
+ coupling: number;
635
+ multiplicity: string;
636
+ shift: number;
637
+ }[];
638
+ pyridine: {
639
+ proton: string;
640
+ coupling: number;
641
+ multiplicity: string;
642
+ shift: number;
643
+ }[];
644
+ silicone_greasei: never[];
645
+ tetrahydrofuran: {
646
+ proton: string;
647
+ coupling: number;
648
+ multiplicity: string;
649
+ shift: number;
650
+ }[];
651
+ toluene: {
652
+ proton: string;
653
+ coupling: number;
654
+ multiplicity: string;
655
+ shift: number;
656
+ }[];
657
+ triethylamine: {
658
+ proton: string;
659
+ coupling: number;
660
+ multiplicity: string;
661
+ shift: number;
662
+ }[];
663
+ };
664
+ c6d6: {
665
+ tms: {
666
+ proton: string;
667
+ coupling: number;
668
+ multiplicity: string;
669
+ shift: number;
670
+ }[];
671
+ solvent: {
672
+ proton: string;
673
+ coupling: number;
674
+ multiplicity: string;
675
+ shift: number;
676
+ }[];
677
+ h2o: {
678
+ proton: string;
679
+ coupling: number;
680
+ multiplicity: string;
681
+ shift: number;
682
+ }[];
683
+ acetic_acid: {
684
+ proton: string;
685
+ coupling: number;
686
+ multiplicity: string;
687
+ shift: number;
688
+ }[];
689
+ acetone: {
690
+ proton: string;
691
+ coupling: number;
692
+ multiplicity: string;
693
+ shift: number;
694
+ }[];
695
+ acetonitrile: {
696
+ proton: string;
697
+ coupling: number;
698
+ multiplicity: string;
699
+ shift: number;
700
+ }[];
701
+ benzene: {
702
+ proton: string;
703
+ coupling: number;
704
+ multiplicity: string;
705
+ shift: number;
706
+ }[];
707
+ 'tert-butyl_alcohol': {
708
+ proton: string;
709
+ coupling: number;
710
+ multiplicity: string;
711
+ shift: number;
712
+ }[];
713
+ 'tert-butyl_methyl_ether': {
714
+ proton: string;
715
+ coupling: number;
716
+ multiplicity: string;
717
+ shift: number;
718
+ }[];
719
+ bhtb: {
720
+ proton: string;
721
+ coupling: number;
722
+ multiplicity: string;
723
+ shift: number;
724
+ }[];
725
+ chloroform: {
726
+ proton: string;
727
+ coupling: number;
728
+ multiplicity: string;
729
+ shift: number;
730
+ }[];
731
+ cyclohexane: {
732
+ proton: string;
733
+ coupling: number;
734
+ multiplicity: string;
735
+ shift: number;
736
+ }[];
737
+ '1,2-dichloroethane': {
738
+ proton: string;
739
+ coupling: number;
740
+ multiplicity: string;
741
+ shift: number;
742
+ }[];
743
+ dichloromethane: {
744
+ proton: string;
745
+ coupling: number;
746
+ multiplicity: string;
747
+ shift: number;
748
+ }[];
749
+ diethyl_ether: {
750
+ proton: string;
751
+ coupling: number;
752
+ multiplicity: string;
753
+ shift: number;
754
+ }[];
755
+ diglyme: {
756
+ proton: string;
757
+ coupling: number;
758
+ multiplicity: string;
759
+ shift: number;
760
+ }[];
761
+ '1,2-dimethoxyethane': {
762
+ proton: string;
763
+ coupling: number;
764
+ multiplicity: string;
765
+ shift: number;
766
+ }[];
767
+ dimethylacetamide: {
768
+ proton: string;
769
+ coupling: number;
770
+ multiplicity: string;
771
+ shift: number;
772
+ }[];
773
+ dimethylformamide: {
774
+ proton: string;
775
+ coupling: number;
776
+ multiplicity: string;
777
+ shift: number;
778
+ }[];
779
+ dimethyl_sulfoxide: {
780
+ proton: string;
781
+ coupling: number;
782
+ multiplicity: string;
783
+ shift: number;
784
+ }[];
785
+ dioxane: {
786
+ proton: string;
787
+ coupling: number;
788
+ multiplicity: string;
789
+ shift: number;
790
+ }[];
791
+ ethanol: {
792
+ proton: string;
793
+ coupling: number;
794
+ multiplicity: string;
795
+ shift: number;
796
+ }[];
797
+ ethyl_acetate: {
798
+ proton: string;
799
+ coupling: number;
800
+ multiplicity: string;
801
+ shift: number;
802
+ }[];
803
+ ethyl_methyl_ketone: {
804
+ proton: string;
805
+ coupling: number;
806
+ multiplicity: string;
807
+ shift: number;
808
+ }[];
809
+ ethylene_glycol: {
810
+ proton: string;
811
+ coupling: number;
812
+ multiplicity: string;
813
+ shift: number;
814
+ }[];
815
+ 'grease^f': {
816
+ proton: string;
817
+ coupling: number;
818
+ multiplicity: string;
819
+ shift: number;
820
+ }[];
821
+ 'n-hexane': {
822
+ proton: string;
823
+ coupling: number;
824
+ multiplicity: string;
825
+ shift: number;
826
+ }[];
827
+ hmpag: {
828
+ proton: string;
829
+ coupling: number;
830
+ multiplicity: string;
831
+ shift: number;
832
+ }[];
833
+ methanol: {
834
+ proton: string;
835
+ coupling: number;
836
+ multiplicity: string;
837
+ shift: number;
838
+ }[];
839
+ nitromethane: {
840
+ proton: string;
841
+ coupling: number;
842
+ multiplicity: string;
843
+ shift: number;
844
+ }[];
845
+ 'n-pentane': {
846
+ proton: string;
847
+ coupling: number;
848
+ multiplicity: string;
849
+ shift: number;
850
+ }[];
851
+ '2-propanol': {
852
+ proton: string;
853
+ coupling: number;
854
+ multiplicity: string;
855
+ shift: number;
856
+ }[];
857
+ pyridine: {
858
+ proton: string;
859
+ coupling: number;
860
+ multiplicity: string;
861
+ shift: number;
862
+ }[];
863
+ silicone_greasei: {
864
+ proton: string;
865
+ coupling: number;
866
+ multiplicity: string;
867
+ shift: number;
868
+ }[];
869
+ tetrahydrofuran: {
870
+ proton: string;
871
+ coupling: number;
872
+ multiplicity: string;
873
+ shift: number;
874
+ }[];
875
+ toluene: {
876
+ proton: string;
877
+ coupling: number;
878
+ multiplicity: string;
879
+ shift: number;
880
+ }[];
881
+ triethylamine: {
882
+ proton: string;
883
+ coupling: number;
884
+ multiplicity: string;
885
+ shift: number;
886
+ }[];
887
+ };
888
+ cd3cn: {
889
+ tms: {
890
+ proton: string;
891
+ coupling: number;
892
+ multiplicity: string;
893
+ shift: number;
894
+ }[];
895
+ solvent: {
896
+ proton: string;
897
+ coupling: number;
898
+ multiplicity: string;
899
+ shift: number;
900
+ }[];
901
+ h2o: {
902
+ proton: string;
903
+ coupling: number;
904
+ multiplicity: string;
905
+ shift: number;
906
+ }[];
907
+ acetic_acid: {
908
+ proton: string;
909
+ coupling: number;
910
+ multiplicity: string;
911
+ shift: number;
912
+ }[];
913
+ acetone: {
914
+ proton: string;
915
+ coupling: number;
916
+ multiplicity: string;
917
+ shift: number;
918
+ }[];
919
+ acetonitrile: {
920
+ proton: string;
921
+ coupling: number;
922
+ multiplicity: string;
923
+ shift: number;
924
+ }[];
925
+ benzene: {
926
+ proton: string;
927
+ coupling: number;
928
+ multiplicity: string;
929
+ shift: number;
930
+ }[];
931
+ 'tert-butyl_alcohol': {
932
+ proton: string;
933
+ coupling: number;
934
+ multiplicity: string;
935
+ shift: number;
936
+ }[];
937
+ 'tert-butyl_methyl_ether': {
938
+ proton: string;
939
+ coupling: number;
940
+ multiplicity: string;
941
+ shift: number;
942
+ }[];
943
+ bhtb: {
944
+ proton: string;
945
+ coupling: number;
946
+ multiplicity: string;
947
+ shift: number;
948
+ }[];
949
+ chloroform: {
950
+ proton: string;
951
+ coupling: number;
952
+ multiplicity: string;
953
+ shift: number;
954
+ }[];
955
+ cyclohexane: {
956
+ proton: string;
957
+ coupling: number;
958
+ multiplicity: string;
959
+ shift: number;
960
+ }[];
961
+ '1,2-dichloroethane': {
962
+ proton: string;
963
+ coupling: number;
964
+ multiplicity: string;
965
+ shift: number;
966
+ }[];
967
+ dichloromethane: {
968
+ proton: string;
969
+ coupling: number;
970
+ multiplicity: string;
971
+ shift: number;
972
+ }[];
973
+ diethyl_ether: {
974
+ proton: string;
975
+ coupling: number;
976
+ multiplicity: string;
977
+ shift: number;
978
+ }[];
979
+ diglyme: {
980
+ proton: string;
981
+ coupling: number;
982
+ multiplicity: string;
983
+ shift: number;
984
+ }[];
985
+ '1,2-dimethoxyethane': {
986
+ proton: string;
987
+ coupling: number;
988
+ multiplicity: string;
989
+ shift: number;
990
+ }[];
991
+ dimethylacetamide: {
992
+ proton: string;
993
+ coupling: number;
994
+ multiplicity: string;
995
+ shift: number;
996
+ }[];
997
+ dimethylformamide: {
998
+ proton: string;
999
+ coupling: number;
1000
+ multiplicity: string;
1001
+ shift: number;
1002
+ }[];
1003
+ dimethyl_sulfoxide: {
1004
+ proton: string;
1005
+ coupling: number;
1006
+ multiplicity: string;
1007
+ shift: number;
1008
+ }[];
1009
+ dioxane: {
1010
+ proton: string;
1011
+ coupling: number;
1012
+ multiplicity: string;
1013
+ shift: number;
1014
+ }[];
1015
+ ethanol: {
1016
+ proton: string;
1017
+ coupling: number;
1018
+ multiplicity: string;
1019
+ shift: number;
1020
+ }[];
1021
+ ethyl_acetate: {
1022
+ proton: string;
1023
+ coupling: number;
1024
+ multiplicity: string;
1025
+ shift: number;
1026
+ }[];
1027
+ ethyl_methyl_ketone: {
1028
+ proton: string;
1029
+ coupling: number;
1030
+ multiplicity: string;
1031
+ shift: number;
1032
+ }[];
1033
+ ethylene_glycol: {
1034
+ proton: string;
1035
+ coupling: number;
1036
+ multiplicity: string;
1037
+ shift: number;
1038
+ }[];
1039
+ 'grease^f': {
1040
+ proton: string;
1041
+ coupling: number;
1042
+ multiplicity: string;
1043
+ shift: number;
1044
+ }[];
1045
+ 'n-hexane': {
1046
+ proton: string;
1047
+ coupling: number;
1048
+ multiplicity: string;
1049
+ shift: number;
1050
+ }[];
1051
+ hmpag: {
1052
+ proton: string;
1053
+ coupling: number;
1054
+ multiplicity: string;
1055
+ shift: number;
1056
+ }[];
1057
+ methanol: {
1058
+ proton: string;
1059
+ coupling: number;
1060
+ multiplicity: string;
1061
+ shift: number;
1062
+ }[];
1063
+ nitromethane: {
1064
+ proton: string;
1065
+ coupling: number;
1066
+ multiplicity: string;
1067
+ shift: number;
1068
+ }[];
1069
+ 'n-pentane': {
1070
+ proton: string;
1071
+ coupling: number;
1072
+ multiplicity: string;
1073
+ shift: number;
1074
+ }[];
1075
+ '2-propanol': {
1076
+ proton: string;
1077
+ coupling: number;
1078
+ multiplicity: string;
1079
+ shift: number;
1080
+ }[];
1081
+ pyridine: {
1082
+ proton: string;
1083
+ coupling: number;
1084
+ multiplicity: string;
1085
+ shift: number;
1086
+ }[];
1087
+ silicone_greasei: {
1088
+ proton: string;
1089
+ coupling: number;
1090
+ multiplicity: string;
1091
+ shift: number;
1092
+ }[];
1093
+ tetrahydrofuran: {
1094
+ proton: string;
1095
+ coupling: number;
1096
+ multiplicity: string;
1097
+ shift: number;
1098
+ }[];
1099
+ toluene: {
1100
+ proton: string;
1101
+ coupling: number;
1102
+ multiplicity: string;
1103
+ shift: number;
1104
+ }[];
1105
+ triethylamine: {
1106
+ proton: string;
1107
+ coupling: number;
1108
+ multiplicity: string;
1109
+ shift: number;
1110
+ }[];
1111
+ };
1112
+ cd3od: {
1113
+ tms: {
1114
+ proton: string;
1115
+ coupling: number;
1116
+ multiplicity: string;
1117
+ shift: number;
1118
+ }[];
1119
+ solvent: {
1120
+ proton: string;
1121
+ coupling: number;
1122
+ multiplicity: string;
1123
+ shift: number;
1124
+ }[];
1125
+ h2o: {
1126
+ proton: string;
1127
+ coupling: number;
1128
+ multiplicity: string;
1129
+ shift: number;
1130
+ }[];
1131
+ acetic_acid: {
1132
+ proton: string;
1133
+ coupling: number;
1134
+ multiplicity: string;
1135
+ shift: number;
1136
+ }[];
1137
+ acetone: {
1138
+ proton: string;
1139
+ coupling: number;
1140
+ multiplicity: string;
1141
+ shift: number;
1142
+ }[];
1143
+ acetonitrile: {
1144
+ proton: string;
1145
+ coupling: number;
1146
+ multiplicity: string;
1147
+ shift: number;
1148
+ }[];
1149
+ benzene: {
1150
+ proton: string;
1151
+ coupling: number;
1152
+ multiplicity: string;
1153
+ shift: number;
1154
+ }[];
1155
+ 'tert-butyl_alcohol': {
1156
+ proton: string;
1157
+ coupling: number;
1158
+ multiplicity: string;
1159
+ shift: number;
1160
+ }[];
1161
+ 'tert-butyl_methyl_ether': {
1162
+ proton: string;
1163
+ coupling: number;
1164
+ multiplicity: string;
1165
+ shift: number;
1166
+ }[];
1167
+ bhtb: {
1168
+ proton: string;
1169
+ coupling: number;
1170
+ multiplicity: string;
1171
+ shift: number;
1172
+ }[];
1173
+ chloroform: {
1174
+ proton: string;
1175
+ coupling: number;
1176
+ multiplicity: string;
1177
+ shift: number;
1178
+ }[];
1179
+ cyclohexane: {
1180
+ proton: string;
1181
+ coupling: number;
1182
+ multiplicity: string;
1183
+ shift: number;
1184
+ }[];
1185
+ '1,2-dichloroethane': {
1186
+ proton: string;
1187
+ coupling: number;
1188
+ multiplicity: string;
1189
+ shift: number;
1190
+ }[];
1191
+ dichloromethane: {
1192
+ proton: string;
1193
+ coupling: number;
1194
+ multiplicity: string;
1195
+ shift: number;
1196
+ }[];
1197
+ diethyl_ether: {
1198
+ proton: string;
1199
+ coupling: number;
1200
+ multiplicity: string;
1201
+ shift: number;
1202
+ }[];
1203
+ diglyme: {
1204
+ proton: string;
1205
+ coupling: number;
1206
+ multiplicity: string;
1207
+ shift: number;
1208
+ }[];
1209
+ '1,2-dimethoxyethane': {
1210
+ proton: string;
1211
+ coupling: number;
1212
+ multiplicity: string;
1213
+ shift: number;
1214
+ }[];
1215
+ dimethylacetamide: {
1216
+ proton: string;
1217
+ coupling: number;
1218
+ multiplicity: string;
1219
+ shift: number;
1220
+ }[];
1221
+ dimethylformamide: {
1222
+ proton: string;
1223
+ coupling: number;
1224
+ multiplicity: string;
1225
+ shift: number;
1226
+ }[];
1227
+ dimethyl_sulfoxide: {
1228
+ proton: string;
1229
+ coupling: number;
1230
+ multiplicity: string;
1231
+ shift: number;
1232
+ }[];
1233
+ dioxane: {
1234
+ proton: string;
1235
+ coupling: number;
1236
+ multiplicity: string;
1237
+ shift: number;
1238
+ }[];
1239
+ ethanol: {
1240
+ proton: string;
1241
+ coupling: number;
1242
+ multiplicity: string;
1243
+ shift: number;
1244
+ }[];
1245
+ ethyl_acetate: {
1246
+ proton: string;
1247
+ coupling: number;
1248
+ multiplicity: string;
1249
+ shift: number;
1250
+ }[];
1251
+ ethyl_methyl_ketone: {
1252
+ proton: string;
1253
+ coupling: number;
1254
+ multiplicity: string;
1255
+ shift: number;
1256
+ }[];
1257
+ ethylene_glycol: {
1258
+ proton: string;
1259
+ coupling: number;
1260
+ multiplicity: string;
1261
+ shift: number;
1262
+ }[];
1263
+ 'grease^f': {
1264
+ proton: string;
1265
+ coupling: number;
1266
+ multiplicity: string;
1267
+ shift: number;
1268
+ }[];
1269
+ 'n-hexane': {
1270
+ proton: string;
1271
+ coupling: number;
1272
+ multiplicity: string;
1273
+ shift: number;
1274
+ }[];
1275
+ hmpag: {
1276
+ proton: string;
1277
+ coupling: number;
1278
+ multiplicity: string;
1279
+ shift: number;
1280
+ }[];
1281
+ methanol: {
1282
+ proton: string;
1283
+ coupling: number;
1284
+ multiplicity: string;
1285
+ shift: number;
1286
+ }[];
1287
+ nitromethane: {
1288
+ proton: string;
1289
+ coupling: number;
1290
+ multiplicity: string;
1291
+ shift: number;
1292
+ }[];
1293
+ 'n-pentane': {
1294
+ proton: string;
1295
+ coupling: number;
1296
+ multiplicity: string;
1297
+ shift: number;
1298
+ }[];
1299
+ '2-propanol': {
1300
+ proton: string;
1301
+ coupling: number;
1302
+ multiplicity: string;
1303
+ shift: number;
1304
+ }[];
1305
+ pyridine: {
1306
+ proton: string;
1307
+ coupling: number;
1308
+ multiplicity: string;
1309
+ shift: number;
1310
+ }[];
1311
+ silicone_greasei: {
1312
+ proton: string;
1313
+ coupling: number;
1314
+ multiplicity: string;
1315
+ shift: number;
1316
+ }[];
1317
+ tetrahydrofuran: {
1318
+ proton: string;
1319
+ coupling: number;
1320
+ multiplicity: string;
1321
+ shift: number;
1322
+ }[];
1323
+ toluene: {
1324
+ proton: string;
1325
+ coupling: number;
1326
+ multiplicity: string;
1327
+ shift: number;
1328
+ }[];
1329
+ triethylamine: {
1330
+ proton: string;
1331
+ coupling: number;
1332
+ multiplicity: string;
1333
+ shift: number;
1334
+ }[];
1335
+ };
1336
+ d2o: {
1337
+ tms: {
1338
+ proton: string;
1339
+ coupling: number;
1340
+ multiplicity: string;
1341
+ shift: number;
1342
+ }[];
1343
+ solvent: {
1344
+ proton: string;
1345
+ coupling: number;
1346
+ multiplicity: string;
1347
+ shift: number;
1348
+ }[];
1349
+ h2o: never[];
1350
+ acetic_acid: {
1351
+ proton: string;
1352
+ coupling: number;
1353
+ multiplicity: string;
1354
+ shift: number;
1355
+ }[];
1356
+ acetone: {
1357
+ proton: string;
1358
+ coupling: number;
1359
+ multiplicity: string;
1360
+ shift: number;
1361
+ }[];
1362
+ acetonitrile: {
1363
+ proton: string;
1364
+ coupling: number;
1365
+ multiplicity: string;
1366
+ shift: number;
1367
+ }[];
1368
+ benzene: never[];
1369
+ 'tert-butyl_alcohol': {
1370
+ proton: string;
1371
+ coupling: number;
1372
+ multiplicity: string;
1373
+ shift: number;
1374
+ }[];
1375
+ 'tert-butyl_methyl_ether': {
1376
+ proton: string;
1377
+ coupling: number;
1378
+ multiplicity: string;
1379
+ shift: number;
1380
+ }[];
1381
+ bhtb: never[];
1382
+ chloroform: never[];
1383
+ cyclohexane: never[];
1384
+ '1,2-dichloroethane': never[];
1385
+ dichloromethane: never[];
1386
+ diethyl_ether: {
1387
+ proton: string;
1388
+ coupling: number;
1389
+ multiplicity: string;
1390
+ shift: number;
1391
+ }[];
1392
+ diglyme: {
1393
+ proton: string;
1394
+ coupling: number;
1395
+ multiplicity: string;
1396
+ shift: number;
1397
+ }[];
1398
+ '1,2-dimethoxyethane': {
1399
+ proton: string;
1400
+ coupling: number;
1401
+ multiplicity: string;
1402
+ shift: number;
1403
+ }[];
1404
+ dimethylacetamide: {
1405
+ proton: string;
1406
+ coupling: number;
1407
+ multiplicity: string;
1408
+ shift: number;
1409
+ }[];
1410
+ dimethylformamide: {
1411
+ proton: string;
1412
+ coupling: number;
1413
+ multiplicity: string;
1414
+ shift: number;
1415
+ }[];
1416
+ dimethyl_sulfoxide: {
1417
+ proton: string;
1418
+ coupling: number;
1419
+ multiplicity: string;
1420
+ shift: number;
1421
+ }[];
1422
+ dioxane: {
1423
+ proton: string;
1424
+ coupling: number;
1425
+ multiplicity: string;
1426
+ shift: number;
1427
+ }[];
1428
+ ethanol: {
1429
+ proton: string;
1430
+ coupling: number;
1431
+ multiplicity: string;
1432
+ shift: number;
1433
+ }[];
1434
+ ethyl_acetate: {
1435
+ proton: string;
1436
+ coupling: number;
1437
+ multiplicity: string;
1438
+ shift: number;
1439
+ }[];
1440
+ ethyl_methyl_ketone: {
1441
+ proton: string;
1442
+ coupling: number;
1443
+ multiplicity: string;
1444
+ shift: number;
1445
+ }[];
1446
+ ethylene_glycol: {
1447
+ proton: string;
1448
+ coupling: number;
1449
+ multiplicity: string;
1450
+ shift: number;
1451
+ }[];
1452
+ 'grease^f': never[];
1453
+ 'n-hexane': never[];
1454
+ hmpag: {
1455
+ proton: string;
1456
+ coupling: number;
1457
+ multiplicity: string;
1458
+ shift: number;
1459
+ }[];
1460
+ methanol: {
1461
+ proton: string;
1462
+ coupling: number;
1463
+ multiplicity: string;
1464
+ shift: number;
1465
+ }[];
1466
+ nitromethane: {
1467
+ proton: string;
1468
+ coupling: number;
1469
+ multiplicity: string;
1470
+ shift: number;
1471
+ }[];
1472
+ 'n-pentane': {
1473
+ proton: string;
1474
+ coupling: number;
1475
+ multiplicity: string;
1476
+ shift: number;
1477
+ }[];
1478
+ '2-propanol': {
1479
+ proton: string;
1480
+ coupling: number;
1481
+ multiplicity: string;
1482
+ shift: number;
1483
+ }[];
1484
+ pyridine: {
1485
+ proton: string;
1486
+ coupling: number;
1487
+ multiplicity: string;
1488
+ shift: number;
1489
+ }[];
1490
+ silicone_greasei: never[];
1491
+ tetrahydrofuran: {
1492
+ proton: string;
1493
+ coupling: number;
1494
+ multiplicity: string;
1495
+ shift: number;
1496
+ }[];
1497
+ toluene: never[];
1498
+ triethylamine: {
1499
+ proton: string;
1500
+ coupling: number;
1501
+ multiplicity: string;
1502
+ shift: number;
1503
+ }[];
1504
+ };
1505
+ };
1506
+ export type SolventImpurities = Record<Solvent, Impurity>;
1507
+ export type Impurity = Record<string, ImpuritySignal[]>;
1508
+ export type Solvent = keyof typeof impuritiesContent;
7
1509
  export interface ImpuritySignal {
8
1510
  proton: string;
9
1511
  coupling: number;
@@ -11,3 +1513,4 @@ export interface ImpuritySignal {
11
1513
  shift: number;
12
1514
  }
13
1515
  export declare const impurities: SolventImpurities;
1516
+ export {};