nmr-processing 6.0.0 → 6.0.4

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 (232) hide show
  1. package/lib/assignment/get1HAssignments.d.ts +2 -2
  2. package/lib/{types → assignment}/nmrAssigment.d.ts +2 -2
  3. package/lib/{types → assignment}/nmrAssigment.js +0 -0
  4. package/lib/assignment/nmrAssigment.js.map +1 -0
  5. package/lib/assignment/utils/createMapPossibleAssignments.d.ts +1 -1
  6. package/lib/databases/DatabaseNMREntry.d.ts +1 -1
  7. package/lib/index.d.ts +8 -9
  8. package/lib/ml-matrix-convolution.d.ts +8 -0
  9. package/lib/ml-matrix-convolution.js +2 -0
  10. package/lib/ml-matrix-convolution.js.map +1 -0
  11. package/lib/ml-simple-clustering.d.ts +8 -0
  12. package/lib/ml-simple-clustering.js +2 -0
  13. package/lib/ml-simple-clustering.js.map +1 -0
  14. package/lib/{types → peaks}/NMRPeak1D.d.ts +0 -0
  15. package/lib/{types → peaks}/NMRPeak1D.js +0 -0
  16. package/{lib-esm/types → lib/peaks}/NMRPeak1D.js.map +1 -1
  17. package/lib/peaks/peaksFilterImpurities.d.ts +1 -1
  18. package/lib/peaks/peaksFilterImpurities.js.map +1 -1
  19. package/lib/peaks/peaksToRanges.d.ts +2 -2
  20. package/lib/peaks/util/determineRealTop.js +2 -5
  21. package/lib/peaks/util/determineRealTop.js.map +1 -1
  22. package/lib/peaks/util/jAnalyzer.d.ts +2 -2
  23. package/lib/peaks/util/joinRanges.d.ts +1 -1
  24. package/lib/peaks/util/peakOptimizer.d.ts +1 -1
  25. package/lib/{types → prediction}/dataStructure.d.ts +0 -0
  26. package/lib/{types → prediction}/dataStructure.js +0 -0
  27. package/lib/prediction/dataStructure.js.map +1 -0
  28. package/lib/prediction/predictAll.d.ts +1 -1
  29. package/lib/prediction/predictAll.js.map +1 -1
  30. package/lib/prediction/predictCOSY.d.ts +1 -1
  31. package/lib/prediction/predictCOSY.js.map +1 -1
  32. package/lib/prediction/predictCarbon.d.ts +2 -2
  33. package/lib/prediction/predictCarbon.js.map +1 -1
  34. package/lib/prediction/predictHMBC.d.ts +1 -1
  35. package/lib/prediction/predictHMBC.js.map +1 -1
  36. package/lib/prediction/predictHSQC.d.ts +1 -1
  37. package/lib/prediction/predictHSQC.js.map +1 -1
  38. package/lib/prediction/predictProton.d.ts +1 -1
  39. package/lib/prediction/predictProton.js +1 -1
  40. package/lib/prediction/predictProton.js.map +1 -1
  41. package/lib/{types → prediction}/prediction1D.d.ts +2 -2
  42. package/lib/{types → prediction}/prediction1D.js +0 -0
  43. package/lib/prediction/prediction1D.js.map +1 -0
  44. package/lib/prediction/utils/fetchPrediction.d.ts +1 -1
  45. package/lib/prediction/utils/getFilteredIDiaIDs.d.ts +1 -1
  46. package/lib/prediction/utils/getPredictions.d.ts +1 -1
  47. package/lib/prediction/utils/getPredictions.js +1 -1
  48. package/lib/prediction/utils/getPredictions.js.map +1 -1
  49. package/lib/prediction/utils/predict2D.d.ts +2 -2
  50. package/lib/prediction/utils/queryByHOSE.d.ts +1 -1
  51. package/lib/ranges/rangesToACS.d.ts +1 -1
  52. package/lib/ranges/rangesToACS.js +8 -9
  53. package/lib/ranges/rangesToACS.js.map +1 -1
  54. package/lib/ranges/rangesToXY.d.ts +1 -1
  55. package/lib/ranges/rangesToXY.js.map +1 -1
  56. package/lib/signal/signalJoinCouplings.d.ts +1 -1
  57. package/lib/signal/signalMultiplicityPattern.d.ts +1 -1
  58. package/lib/{types → signals}/NMRSignal1D.d.ts +1 -1
  59. package/lib/{types → signals}/NMRSignal1D.js +0 -0
  60. package/lib/{types → signals}/NMRSignal1D.js.map +1 -1
  61. package/lib/signals/hackSignalsToXY.d.ts +1 -1
  62. package/lib/{types → signals}/jcoupling.d.ts +0 -0
  63. package/lib/{types → signals}/jcoupling.js +0 -0
  64. package/lib/{types → signals}/jcoupling.js.map +1 -1
  65. package/lib/signals/signals2DToZ.d.ts +1 -1
  66. package/lib/signals/signalsJoin.d.ts +3 -3
  67. package/lib/signals/signalsJoin.js.map +1 -1
  68. package/lib/signals/signalsToRanges.d.ts +2 -2
  69. package/lib/signals/signalsToRanges.js.map +1 -1
  70. package/lib/signals/signalsToXY.d.ts +1 -1
  71. package/lib/signals/simulation/signalsToSpinSystem.d.ts +2 -2
  72. package/lib/signals/simulation/simulate1D.d.ts +1 -1
  73. package/lib/signals/simulation/simulate1D.js +2 -1
  74. package/lib/signals/simulation/simulate1D.js.map +1 -1
  75. package/lib/signals/simulation/splitSpinSystem.d.ts +1 -1
  76. package/lib/{types → signals}/spinSystem.d.ts +0 -0
  77. package/lib/{types → signals}/spinSystem.js +0 -0
  78. package/lib/{types → signals}/spinSystem.js.map +1 -1
  79. package/lib/{types → utilities}/MakeMandatory.d.ts +0 -0
  80. package/lib/{types → utilities}/MakeMandatory.js +0 -0
  81. package/lib/utilities/MakeMandatory.js.map +1 -0
  82. package/lib/utilities/rangeFromSignal.d.ts +1 -1
  83. package/lib/utilities/resurrect.d.ts +1 -1
  84. package/lib/utilities/resurrectRange.d.ts +1 -1
  85. package/lib/{types → xy}/NMRRange.d.ts +1 -1
  86. package/lib/{types → xy}/NMRRange.js +0 -0
  87. package/lib/{types → xy}/NMRRange.js.map +1 -1
  88. package/lib/xy/xyAutoRangesPicking.d.ts +2 -2
  89. package/lib/xy/xyAutoRangesPicking.js.map +1 -1
  90. package/lib/{types → xyz}/NMRSignal2D.d.ts +0 -1
  91. package/lib/{types → xyz}/NMRSignal2D.js +0 -0
  92. package/lib/{types → xyz}/NMRSignal2D.js.map +1 -1
  93. package/lib/{types → xyz}/NMRZone.d.ts +0 -0
  94. package/lib/{types → xyz}/NMRZone.js +0 -0
  95. package/lib/{types → xyz}/NMRZone.js.map +1 -1
  96. package/lib/xyz/xyzAutoZonesPicking.d.ts +2 -2
  97. package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
  98. package/lib/xyz/xyzJResAnalyzer.d.ts +1 -1
  99. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  100. package/lib-esm/{types → assignment}/nmrAssigment.js +0 -0
  101. package/lib-esm/assignment/nmrAssigment.js.map +1 -0
  102. package/lib-esm/ml-matrix-convolution.js +2 -0
  103. package/lib-esm/ml-matrix-convolution.js.map +1 -0
  104. package/lib-esm/ml-simple-clustering.js +2 -0
  105. package/lib-esm/ml-simple-clustering.js.map +1 -0
  106. package/lib-esm/{types → peaks}/NMRPeak1D.js +0 -0
  107. package/{lib/types → lib-esm/peaks}/NMRPeak1D.js.map +1 -1
  108. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  109. package/lib-esm/peaks/util/determineRealTop.js +2 -2
  110. package/lib-esm/peaks/util/determineRealTop.js.map +1 -1
  111. package/lib-esm/{types → prediction}/dataStructure.js +0 -0
  112. package/lib-esm/prediction/dataStructure.js.map +1 -0
  113. package/lib-esm/prediction/predictAll.js.map +1 -1
  114. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  115. package/lib-esm/prediction/predictCarbon.js.map +1 -1
  116. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  117. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  118. package/lib-esm/prediction/predictProton.js +1 -1
  119. package/lib-esm/prediction/predictProton.js.map +1 -1
  120. package/lib-esm/{types → prediction}/prediction1D.js +0 -0
  121. package/lib-esm/prediction/prediction1D.js.map +1 -0
  122. package/lib-esm/prediction/utils/getPredictions.js +1 -1
  123. package/lib-esm/prediction/utils/getPredictions.js.map +1 -1
  124. package/lib-esm/ranges/rangesToACS.js +8 -9
  125. package/lib-esm/ranges/rangesToACS.js.map +1 -1
  126. package/lib-esm/ranges/rangesToXY.js.map +1 -1
  127. package/lib-esm/{types → signals}/NMRSignal1D.js +0 -0
  128. package/lib-esm/{types → signals}/NMRSignal1D.js.map +1 -1
  129. package/lib-esm/{types → signals}/jcoupling.js +0 -0
  130. package/lib-esm/{types → signals}/jcoupling.js.map +1 -1
  131. package/lib-esm/signals/signalsJoin.js.map +1 -1
  132. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  133. package/lib-esm/signals/simulation/simulate1D.js +2 -1
  134. package/lib-esm/signals/simulation/simulate1D.js.map +1 -1
  135. package/lib-esm/{types → signals}/spinSystem.js +0 -0
  136. package/lib-esm/{types → signals}/spinSystem.js.map +1 -1
  137. package/lib-esm/{types → utilities}/MakeMandatory.js +0 -0
  138. package/lib-esm/utilities/MakeMandatory.js.map +1 -0
  139. package/lib-esm/{types → xy}/NMRRange.js +0 -0
  140. package/lib-esm/{types → xy}/NMRRange.js.map +1 -1
  141. package/lib-esm/xy/xyAutoRangesPicking.js.map +1 -1
  142. package/lib-esm/{types → xyz}/NMRSignal2D.js +0 -0
  143. package/lib-esm/{types → xyz}/NMRSignal2D.js.map +1 -1
  144. package/lib-esm/{types → xyz}/NMRZone.js +0 -0
  145. package/lib-esm/{types → xyz}/NMRZone.js.map +1 -1
  146. package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
  147. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  148. package/package.json +20 -32
  149. package/src/assignment/get13CAssignments.ts +1 -1
  150. package/src/assignment/get1HAssignments.ts +2 -2
  151. package/src/{types → assignment}/nmrAssigment.ts +2 -2
  152. package/src/assignment/utils/createMapPossibleAssignments.ts +1 -1
  153. package/src/databases/DatabaseNMREntry.ts +1 -1
  154. package/src/index.ts +8 -9
  155. package/src/{types/ml-matrix-convolution/index.d.ts → ml-matrix-convolution.ts} +0 -0
  156. package/src/{types/ml-matrix-peaks-finder/index.d.ts → ml-matrix-peaks-finder.d.ts} +0 -0
  157. package/src/{types/ml-simple-clustering/index.d.ts → ml-simple-clustering.ts} +0 -0
  158. package/src/{types/ml-sparse-matrix/index.d.ts → ml-sparse-matrix.d.ts} +0 -0
  159. package/src/{types/ml-tree-set/index.d.ts → ml-tree-set.d.ts} +0 -0
  160. package/src/{types/modules/nmr-parser.ts → nmr-parser.d.ts} +0 -0
  161. package/src/{types/openchemlib-utils/index..d.ts → openchemlib.d.ts} +0 -0
  162. package/src/{types → peaks}/NMRPeak1D.ts +0 -0
  163. package/src/peaks/peaksFilterImpurities.ts +2 -1
  164. package/src/peaks/peaksToRanges.ts +4 -4
  165. package/src/peaks/util/determineRealTop.ts +2 -2
  166. package/src/peaks/util/jAnalyzer.ts +2 -2
  167. package/src/peaks/util/joinRanges.ts +1 -1
  168. package/src/peaks/util/peakOptimizer.ts +1 -1
  169. package/src/{types → prediction}/dataStructure.ts +0 -0
  170. package/src/prediction/predictAll.ts +1 -2
  171. package/src/prediction/predictCOSY.ts +1 -2
  172. package/src/prediction/predictCarbon.ts +4 -4
  173. package/src/prediction/predictHMBC.ts +1 -2
  174. package/src/prediction/predictHSQC.ts +1 -2
  175. package/src/prediction/predictProton.ts +4 -3
  176. package/src/{types → prediction}/prediction1D.ts +2 -2
  177. package/src/prediction/utils/fetchPrediction.ts +1 -1
  178. package/src/prediction/utils/getPredictions.ts +2 -2
  179. package/src/prediction/utils/predict2D.ts +4 -4
  180. package/src/prediction/utils/queryByHOSE.ts +1 -1
  181. package/src/ranges/rangesToACS.ts +20 -13
  182. package/src/ranges/rangesToXY.ts +3 -3
  183. package/src/signal/signalJoinCouplings.ts +3 -3
  184. package/src/signal/signalMultiplicityPattern.ts +1 -1
  185. package/src/{types → signals}/NMRSignal1D.ts +2 -1
  186. package/src/signals/hackSignalsToXY.ts +2 -2
  187. package/src/{types → signals}/jcoupling.ts +0 -0
  188. package/src/signals/signals2DToZ.ts +1 -1
  189. package/src/signals/signalsJoin.ts +4 -3
  190. package/src/signals/signalsToRanges.ts +4 -3
  191. package/src/signals/signalsToXY.ts +3 -3
  192. package/src/signals/simulation/signalsToSpinSystem.ts +4 -4
  193. package/src/signals/simulation/simulate1D.ts +3 -2
  194. package/src/signals/simulation/splitSpinSystem.ts +1 -1
  195. package/src/{types → signals}/spinSystem.ts +0 -0
  196. package/src/{types → utilities}/MakeMandatory.ts +0 -0
  197. package/src/utilities/rangeFromSignal.ts +1 -1
  198. package/src/utilities/resurrect.ts +1 -1
  199. package/src/utilities/resurrectRange.ts +2 -2
  200. package/src/{types → xy}/NMRRange.ts +1 -1
  201. package/src/xy/xyAutoRangesPicking.ts +3 -2
  202. package/src/{types → xyz}/NMRSignal2D.ts +0 -2
  203. package/src/{types → xyz}/NMRZone.ts +0 -0
  204. package/src/xyz/xyzAutoZonesPicking.ts +4 -3
  205. package/src/xyz/xyzJResAnalyzer.ts +3 -2
  206. package/lib/types/MakeMandatory.js.map +0 -1
  207. package/lib/types/XYNumberArray.d.ts +0 -4
  208. package/lib/types/XYNumberArray.js +0 -3
  209. package/lib/types/XYNumberArray.js.map +0 -1
  210. package/lib/types/dataStructure.js.map +0 -1
  211. package/lib/types/modules/nmr-parser.d.ts +0 -11
  212. package/lib/types/modules/nmr-parser.js +0 -2
  213. package/lib/types/modules/nmr-parser.js.map +0 -1
  214. package/lib/types/nmrAssigment.js.map +0 -1
  215. package/lib/types/prediction1D.js.map +0 -1
  216. package/lib/types/prediction2D.d.ts +0 -0
  217. package/lib/types/prediction2D.js +0 -2
  218. package/lib/types/prediction2D.js.map +0 -1
  219. package/lib-esm/types/MakeMandatory.js.map +0 -1
  220. package/lib-esm/types/XYNumberArray.js +0 -2
  221. package/lib-esm/types/XYNumberArray.js.map +0 -1
  222. package/lib-esm/types/dataStructure.js.map +0 -1
  223. package/lib-esm/types/modules/nmr-parser.js +0 -2
  224. package/lib-esm/types/modules/nmr-parser.js.map +0 -1
  225. package/lib-esm/types/nmrAssigment.js.map +0 -1
  226. package/lib-esm/types/prediction1D.js.map +0 -1
  227. package/lib-esm/types/prediction2D.js +0 -2
  228. package/lib-esm/types/prediction2D.js.map +0 -1
  229. package/src/types/XYNumberArray.ts +0 -4
  230. package/src/types/ml-levenberg-marquardt/index.d.ts +0 -13
  231. package/src/types/ml-spectra-processing/index.d.ts +0 -57
  232. package/src/types/prediction2D.ts +0 -0
@@ -1,57 +0,0 @@
1
- declare module 'ml-spectra-processing' {
2
- interface XYNumberArray {
3
- x: Array<number> | Float64Array;
4
- y: Array<number> | Float64Array;
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- }
6
-
7
- function xyExtract(
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- data: XYNumberArray,
9
- options?: { zones: { from: number; to: number }[] },
10
- ): XYNumberArray;
11
-
12
- interface XNoiseSanPlotOptions {
13
- mask?: boolean[];
14
- cutOff?: number;
15
- logBaseY?: number;
16
- refine?: boolean;
17
- magnitudeMode?: boolean;
18
- scaleFactor?: number;
19
- factorStd?: number;
20
- fixOffset?: boolean;
21
- }
22
-
23
- interface XNoiseSanPlotResult {
24
- positive: number;
25
- negative: number;
26
- snr: number;
27
- sanplot: {
28
- positive: XYNumberArray;
29
- negative: XYNumberArray;
30
- };
31
- }
32
- function xNoiseSanPlot(
33
- data: number[] | Float64Array,
34
- options?: XNoiseSanPlotOptions,
35
- ): XNoiseSanPlotResult;
36
-
37
- function xAbsoluteMedian(data: number[] | Float64Array): number;
38
-
39
- interface XGetFromToIndexOptions {
40
- fromIndex?: number;
41
- toIndex?: number;
42
- from?: number;
43
- to?: number;
44
- }
45
-
46
- interface XYIntegrationOptions extends XGetFromToIndexOptions {}
47
-
48
- function xyIntegration(
49
- data: XYNumberArray,
50
- options?: XYIntegrationOptions,
51
- ): number;
52
-
53
- function xGetFromToIndex(
54
- x: number[] | Float64Array,
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- options?: XGetFromToIndexOptions,
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- ): number;
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- }
File without changes