nmr-processing 3.4.1 → 6.0.1

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 (287) hide show
  1. package/lib/assignment/get13CAssignments.js.map +1 -1
  2. package/lib/assignment/get1HAssignments.d.ts +2 -2
  3. package/lib/{types → assignment}/nmrAssigment.d.ts +2 -2
  4. package/lib/{types → assignment}/nmrAssigment.js +0 -0
  5. package/lib/assignment/nmrAssigment.js.map +1 -0
  6. package/lib/assignment/utils/buildAssignments.js.map +1 -1
  7. package/lib/assignment/utils/createMapPossibleAssignments.d.ts +1 -1
  8. package/lib/assignment/utils/createMapPossibleAssignments.js.map +1 -1
  9. package/lib/constants/couplingValues.js.map +1 -1
  10. package/lib/databases/DatabaseNMREntry.d.ts +1 -1
  11. package/lib/index.d.ts +9 -10
  12. package/lib/index.js +1 -1
  13. package/lib/ml-matrix-convolution.d.ts +8 -0
  14. package/lib/ml-matrix-convolution.js +2 -0
  15. package/lib/ml-matrix-convolution.js.map +1 -0
  16. package/lib/ml-simple-clustering.d.ts +8 -0
  17. package/lib/ml-simple-clustering.js +2 -0
  18. package/lib/ml-simple-clustering.js.map +1 -0
  19. package/lib/peaks/NMRPeak1D.d.ts +4 -0
  20. package/lib/{types → peaks}/NMRPeak1D.js +0 -0
  21. package/lib/{types → peaks}/NMRPeak1D.js.map +1 -1
  22. package/lib/peaks/peaksFilterImpurities.d.ts +1 -1
  23. package/lib/peaks/peaksFilterImpurities.js +1 -1
  24. package/lib/peaks/peaksFilterImpurities.js.map +1 -1
  25. package/lib/peaks/peaksToRanges.d.ts +2 -2
  26. package/lib/peaks/peaksToRanges.js +11 -17
  27. package/lib/peaks/peaksToRanges.js.map +1 -1
  28. package/lib/peaks/util/determineRealTop.d.ts +2 -2
  29. package/lib/peaks/util/determineRealTop.js +3 -2
  30. package/lib/peaks/util/determineRealTop.js.map +1 -1
  31. package/lib/peaks/util/jAnalyzer.d.ts +2 -2
  32. package/lib/peaks/util/jAnalyzer.js +12 -13
  33. package/lib/peaks/util/jAnalyzer.js.map +1 -1
  34. package/lib/peaks/util/joinRanges.d.ts +1 -1
  35. package/lib/peaks/util/peakOptimizer.d.ts +3 -3
  36. package/lib/peaks/util/peakOptimizer.js.map +1 -1
  37. package/lib/{types → prediction}/dataStructure.d.ts +0 -0
  38. package/lib/{types → prediction}/dataStructure.js +0 -0
  39. package/lib/prediction/dataStructure.js.map +1 -0
  40. package/lib/prediction/predictAll.d.ts +1 -1
  41. package/lib/prediction/predictAll.js +1 -1
  42. package/lib/prediction/predictAll.js.map +1 -1
  43. package/lib/prediction/predictCOSY.d.ts +1 -1
  44. package/lib/prediction/predictCOSY.js.map +1 -1
  45. package/lib/prediction/predictCarbon.d.ts +2 -2
  46. package/lib/prediction/predictCarbon.js.map +1 -1
  47. package/lib/prediction/predictHMBC.d.ts +1 -1
  48. package/lib/prediction/predictHMBC.js.map +1 -1
  49. package/lib/prediction/predictHSQC.d.ts +1 -1
  50. package/lib/prediction/predictHSQC.js.map +1 -1
  51. package/lib/prediction/predictProton.d.ts +1 -1
  52. package/lib/prediction/predictProton.js +1 -1
  53. package/lib/prediction/predictProton.js.map +1 -1
  54. package/lib/{types → prediction}/prediction1D.d.ts +2 -2
  55. package/lib/{types → prediction}/prediction1D.js +0 -0
  56. package/lib/prediction/prediction1D.js.map +1 -0
  57. package/lib/prediction/utils/fetchPrediction.d.ts +1 -1
  58. package/lib/prediction/utils/getFilteredIDiaIDs.d.ts +1 -1
  59. package/lib/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  60. package/lib/prediction/utils/getNuclei.js +1 -1
  61. package/lib/prediction/utils/getNuclei.js.map +1 -1
  62. package/lib/prediction/utils/getPredictions.d.ts +2 -2
  63. package/lib/prediction/utils/predict2D.d.ts +2 -2
  64. package/lib/prediction/utils/queryByHOSE.d.ts +1 -1
  65. package/lib/prediction/utils/queryByHOSE.js.map +1 -1
  66. package/lib/ranges/rangesToACS.d.ts +1 -1
  67. package/lib/ranges/rangesToXY.d.ts +3 -3
  68. package/lib/ranges/rangesToXY.js.map +1 -1
  69. package/lib/signal/signalJoinCouplings.d.ts +2 -2
  70. package/lib/signal/signalJoinCouplings.js +3 -3
  71. package/lib/signal/signalJoinCouplings.js.map +1 -1
  72. package/lib/signal/signalMultiplicityPattern.d.ts +1 -1
  73. package/lib/{types → signals}/NMRSignal1D.d.ts +1 -1
  74. package/lib/{types → signals}/NMRSignal1D.js +0 -0
  75. package/lib/{types → signals}/NMRSignal1D.js.map +1 -1
  76. package/lib/signals/hackSignalsToXY.d.ts +1 -1
  77. package/lib/{types → signals}/jcoupling.d.ts +1 -1
  78. package/lib/{types → signals}/jcoupling.js +0 -0
  79. package/lib/{types → signals}/jcoupling.js.map +1 -1
  80. package/lib/signals/signals2DToZ.d.ts +1 -1
  81. package/lib/signals/signalsJoin.d.ts +4 -4
  82. package/lib/signals/signalsJoin.js +7 -7
  83. package/lib/signals/signalsJoin.js.map +1 -1
  84. package/lib/signals/signalsToRanges.d.ts +2 -2
  85. package/lib/signals/signalsToRanges.js.map +1 -1
  86. package/lib/signals/signalsToXY.d.ts +3 -3
  87. package/lib/signals/simulation/signalsToSpinSystem.d.ts +2 -2
  88. package/lib/signals/simulation/simulate1D.d.ts +5 -4
  89. package/lib/signals/simulation/simulate1D.js.map +1 -1
  90. package/lib/signals/simulation/splitSpinSystem.d.ts +1 -1
  91. package/lib/signals/simulation/splitSpinSystem.js.map +1 -1
  92. package/lib/{types → signals}/spinSystem.d.ts +0 -0
  93. package/lib/{types → signals}/spinSystem.js +0 -0
  94. package/lib/{types → signals}/spinSystem.js.map +1 -1
  95. package/lib/{types → utilities}/MakeMandatory.d.ts +0 -0
  96. package/lib/{types → utilities}/MakeMandatory.js +0 -0
  97. package/lib/utilities/MakeMandatory.js.map +1 -0
  98. package/lib/utilities/joinPatterns.js.map +1 -1
  99. package/lib/utilities/rangeFromSignal.d.ts +1 -1
  100. package/lib/utilities/resurrect.d.ts +1 -1
  101. package/lib/utilities/resurrectRange.d.ts +1 -1
  102. package/lib/{types → xy}/NMRRange.d.ts +1 -1
  103. package/lib/{types → xy}/NMRRange.js +0 -0
  104. package/lib/{types → xy}/NMRRange.js.map +1 -1
  105. package/lib/xy/xyAutoPeaksPicking.d.ts +4 -60
  106. package/lib/xy/xyAutoPeaksPicking.js +3 -3
  107. package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
  108. package/lib/xy/xyAutoRangesPicking.d.ts +2 -2
  109. package/lib/xy/xyAutoRangesPicking.js.map +1 -1
  110. package/lib/{types → xyz}/NMRSignal2D.d.ts +6 -7
  111. package/lib/{types → xyz}/NMRSignal2D.js +0 -0
  112. package/lib/{types → xyz}/NMRSignal2D.js.map +1 -1
  113. package/lib/xyz/NMRZone.d.ts +8 -0
  114. package/lib/{types → xyz}/NMRZone.js +0 -0
  115. package/lib/{types → xyz}/NMRZone.js.map +1 -1
  116. package/lib/xyz/{xyzAutoPeaksPicking.d.ts → xyzAutoZonesPicking.d.ts} +3 -3
  117. package/lib/xyz/{xyzAutoPeaksPicking.js → xyzAutoZonesPicking.js} +38 -24
  118. package/lib/xyz/xyzAutoZonesPicking.js.map +1 -0
  119. package/lib/xyz/xyzJResAnalyzer.d.ts +1 -1
  120. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  121. package/lib-esm/assignment/get13CAssignments.js.map +1 -1
  122. package/lib-esm/{types → assignment}/nmrAssigment.js +0 -0
  123. package/lib-esm/assignment/nmrAssigment.js.map +1 -0
  124. package/lib-esm/assignment/utils/buildAssignments.js.map +1 -1
  125. package/lib-esm/assignment/utils/createMapPossibleAssignments.js.map +1 -1
  126. package/lib-esm/constants/couplingValues.js.map +1 -1
  127. package/lib-esm/index.js +1 -1
  128. package/lib-esm/ml-matrix-convolution.js +2 -0
  129. package/lib-esm/ml-matrix-convolution.js.map +1 -0
  130. package/lib-esm/ml-simple-clustering.js +2 -0
  131. package/lib-esm/ml-simple-clustering.js.map +1 -0
  132. package/lib-esm/{types → peaks}/NMRPeak1D.js +0 -0
  133. package/lib-esm/{types → peaks}/NMRPeak1D.js.map +1 -1
  134. package/lib-esm/peaks/peaksFilterImpurities.js +1 -1
  135. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  136. package/lib-esm/peaks/peaksToRanges.js +11 -17
  137. package/lib-esm/peaks/peaksToRanges.js.map +1 -1
  138. package/lib-esm/peaks/util/determineRealTop.js +4 -3
  139. package/lib-esm/peaks/util/determineRealTop.js.map +1 -1
  140. package/lib-esm/peaks/util/jAnalyzer.js +12 -13
  141. package/lib-esm/peaks/util/jAnalyzer.js.map +1 -1
  142. package/lib-esm/peaks/util/peakOptimizer.js.map +1 -1
  143. package/lib-esm/{types → prediction}/dataStructure.js +0 -0
  144. package/lib-esm/prediction/dataStructure.js.map +1 -0
  145. package/lib-esm/prediction/predictAll.js +1 -1
  146. package/lib-esm/prediction/predictAll.js.map +1 -1
  147. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  148. package/lib-esm/prediction/predictCarbon.js.map +1 -1
  149. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  150. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  151. package/lib-esm/prediction/predictProton.js +1 -1
  152. package/lib-esm/prediction/predictProton.js.map +1 -1
  153. package/lib-esm/{types → prediction}/prediction1D.js +0 -0
  154. package/lib-esm/prediction/prediction1D.js.map +1 -0
  155. package/lib-esm/prediction/utils/getFilteredIDiaIDs.js.map +1 -1
  156. package/lib-esm/prediction/utils/getNuclei.js +1 -1
  157. package/lib-esm/prediction/utils/getNuclei.js.map +1 -1
  158. package/lib-esm/prediction/utils/queryByHOSE.js.map +1 -1
  159. package/lib-esm/ranges/rangesToXY.js.map +1 -1
  160. package/lib-esm/signal/signalJoinCouplings.js +3 -3
  161. package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
  162. package/lib-esm/{types → signals}/NMRSignal1D.js +0 -0
  163. package/lib-esm/{types → signals}/NMRSignal1D.js.map +1 -1
  164. package/lib-esm/{types → signals}/jcoupling.js +0 -0
  165. package/lib-esm/{types → signals}/jcoupling.js.map +1 -1
  166. package/lib-esm/signals/signalsJoin.js +7 -7
  167. package/lib-esm/signals/signalsJoin.js.map +1 -1
  168. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  169. package/lib-esm/signals/simulation/simulate1D.js.map +1 -1
  170. package/lib-esm/signals/simulation/splitSpinSystem.js.map +1 -1
  171. package/lib-esm/{types → signals}/spinSystem.js +0 -0
  172. package/lib-esm/{types → signals}/spinSystem.js.map +1 -1
  173. package/lib-esm/{types → utilities}/MakeMandatory.js +0 -0
  174. package/lib-esm/utilities/MakeMandatory.js.map +1 -0
  175. package/lib-esm/utilities/joinPatterns.js.map +1 -1
  176. package/lib-esm/{types → xy}/NMRRange.js +0 -0
  177. package/lib-esm/{types → xy}/NMRRange.js.map +1 -1
  178. package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
  179. package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
  180. package/lib-esm/xy/xyAutoRangesPicking.js.map +1 -1
  181. package/lib-esm/{types → xyz}/NMRSignal2D.js +0 -0
  182. package/lib-esm/{types → xyz}/NMRSignal2D.js.map +1 -1
  183. package/lib-esm/{types → xyz}/NMRZone.js +0 -0
  184. package/lib-esm/{types → xyz}/NMRZone.js.map +1 -1
  185. package/lib-esm/xyz/{xyzAutoPeaksPicking.js → xyzAutoZonesPicking.js} +36 -22
  186. package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -0
  187. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  188. package/package.json +20 -17
  189. package/src/assignment/get13CAssignments.ts +5 -2
  190. package/src/assignment/get1HAssignments.ts +2 -2
  191. package/src/{types → assignment}/nmrAssigment.ts +2 -2
  192. package/src/assignment/utils/buildAssignments.ts +1 -4
  193. package/src/assignment/utils/createMapPossibleAssignments.ts +5 -2
  194. package/src/constants/couplingValues.ts +1 -1
  195. package/src/databases/DatabaseNMREntry.ts +1 -1
  196. package/src/index.ts +9 -10
  197. package/src/{types/ml-levenberg-marquardt/index.d.ts → ml-levenberg-marquardt.d.ts} +0 -0
  198. package/src/{types/ml-matrix-convolution/index.d.ts → ml-matrix-convolution.ts} +0 -0
  199. package/src/{types/ml-matrix-peaks-finder/index.d.ts → ml-matrix-peaks-finder.d.ts} +2 -2
  200. package/src/{types/ml-simple-clustering/index.d.ts → ml-simple-clustering.ts} +1 -1
  201. package/src/{types/ml-sparse-matrix/index.d.ts → ml-sparse-matrix.d.ts} +0 -0
  202. package/src/{types/ml-spectra-processing/index.d.ts → ml-spectra-processing.d.ts} +8 -2
  203. package/src/{types/ml-tree-set/index.d.ts → ml-tree-set.d.ts} +0 -0
  204. package/src/nmr-parser.d.ts +17 -0
  205. package/src/{types/openchemlib-utils/index..d.ts → openchemlib.d.ts} +17 -6
  206. package/src/peaks/NMRPeak1D.ts +5 -0
  207. package/src/peaks/peaksFilterImpurities.ts +3 -2
  208. package/src/peaks/peaksToRanges.ts +15 -21
  209. package/src/peaks/util/determineRealTop.ts +6 -9
  210. package/src/peaks/util/jAnalyzer.ts +16 -18
  211. package/src/peaks/util/joinRanges.ts +1 -1
  212. package/src/peaks/util/peakOptimizer.ts +5 -4
  213. package/src/{types → prediction}/dataStructure.ts +1 -1
  214. package/src/prediction/predictAll.ts +6 -7
  215. package/src/prediction/predictCOSY.ts +1 -2
  216. package/src/prediction/predictCarbon.ts +4 -4
  217. package/src/prediction/predictHMBC.ts +1 -2
  218. package/src/prediction/predictHSQC.ts +5 -3
  219. package/src/prediction/predictProton.ts +4 -3
  220. package/src/{types → prediction}/prediction1D.ts +2 -2
  221. package/src/prediction/utils/fetchPrediction.ts +1 -1
  222. package/src/prediction/utils/getFilteredIDiaIDs.ts +1 -2
  223. package/src/prediction/utils/getNuclei.ts +3 -3
  224. package/src/prediction/utils/getPredictions.ts +3 -3
  225. package/src/prediction/utils/predict2D.ts +4 -4
  226. package/src/prediction/utils/queryByHOSE.ts +2 -2
  227. package/src/ranges/rangesToACS.ts +2 -2
  228. package/src/ranges/rangesToXY.ts +5 -5
  229. package/src/signal/signalJoinCouplings.ts +6 -6
  230. package/src/signal/signalMultiplicityPattern.ts +1 -1
  231. package/src/{types → signals}/NMRSignal1D.ts +2 -1
  232. package/src/signals/hackSignalsToXY.ts +2 -2
  233. package/src/{types → signals}/jcoupling.ts +1 -1
  234. package/src/signals/signals2DToZ.ts +1 -1
  235. package/src/signals/signalsJoin.ts +11 -10
  236. package/src/signals/signalsToRanges.ts +4 -3
  237. package/src/signals/signalsToXY.ts +6 -6
  238. package/src/signals/simulation/signalsToSpinSystem.ts +4 -4
  239. package/src/signals/simulation/simulate1D.ts +5 -4
  240. package/src/signals/simulation/splitSpinSystem.ts +11 -3
  241. package/src/{types → signals}/spinSystem.ts +0 -0
  242. package/src/{types → utilities}/MakeMandatory.ts +0 -0
  243. package/src/utilities/joinPatterns.ts +0 -1
  244. package/src/utilities/rangeFromSignal.ts +1 -1
  245. package/src/utilities/resurrect.ts +1 -1
  246. package/src/utilities/resurrectRange.ts +2 -2
  247. package/src/{types → xy}/NMRRange.ts +1 -1
  248. package/src/xy/xyAutoPeaksPicking.ts +19 -58
  249. package/src/xy/xyAutoRangesPicking.ts +3 -2
  250. package/src/{types → xyz}/NMRSignal2D.ts +6 -8
  251. package/src/xyz/NMRZone.ts +10 -0
  252. package/src/xyz/{xyzAutoPeaksPicking.ts → xyzAutoZonesPicking.ts} +44 -27
  253. package/src/xyz/xyzJResAnalyzer.ts +7 -6
  254. package/CHANGELOG.md +0 -550
  255. package/lib/types/MPFPeak.d.ts +0 -9
  256. package/lib/types/MPFPeak.js +0 -3
  257. package/lib/types/MPFPeak.js.map +0 -1
  258. package/lib/types/MakeMandatory.js.map +0 -1
  259. package/lib/types/NMRPeak1D.d.ts +0 -11
  260. package/lib/types/NMRZone.d.ts +0 -12
  261. package/lib/types/XYNumberArray.d.ts +0 -4
  262. package/lib/types/XYNumberArray.js +0 -3
  263. package/lib/types/XYNumberArray.js.map +0 -1
  264. package/lib/types/dataStructure.js.map +0 -1
  265. package/lib/types/nmrAssigment.js.map +0 -1
  266. package/lib/types/prediction1D.js.map +0 -1
  267. package/lib/types/prediction2D.d.ts +0 -0
  268. package/lib/types/prediction2D.js +0 -2
  269. package/lib/types/prediction2D.js.map +0 -1
  270. package/lib/xyz/xyzAutoPeaksPicking.js.map +0 -1
  271. package/lib-esm/types/MPFPeak.js +0 -2
  272. package/lib-esm/types/MPFPeak.js.map +0 -1
  273. package/lib-esm/types/MakeMandatory.js.map +0 -1
  274. package/lib-esm/types/XYNumberArray.js +0 -2
  275. package/lib-esm/types/XYNumberArray.js.map +0 -1
  276. package/lib-esm/types/dataStructure.js.map +0 -1
  277. package/lib-esm/types/nmrAssigment.js.map +0 -1
  278. package/lib-esm/types/prediction1D.js.map +0 -1
  279. package/lib-esm/types/prediction2D.js +0 -2
  280. package/lib-esm/types/prediction2D.js.map +0 -1
  281. package/lib-esm/xyz/xyzAutoPeaksPicking.js.map +0 -1
  282. package/src/types/MPFPeak.ts +0 -9
  283. package/src/types/NMRPeak1D.ts +0 -11
  284. package/src/types/NMRZone.ts +0 -10
  285. package/src/types/XYNumberArray.ts +0 -4
  286. package/src/types/ml-gsd/index.d.ts +0 -164
  287. package/src/types/prediction2D.ts +0 -0
package/lib/xyz/xyzAutoPeaksPicking.js.map DELETED
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1
- 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package/src/types/MPFPeak.ts DELETED
@@ -1,9 +0,0 @@
1
- export interface MPFPeak {
2
- x: number;
3
- y: number;
4
- z: number;
5
- maxX: number;
6
- minX: number;
7
- maxY: number;
8
- minY: number;
9
- }
package/src/types/NMRPeak1D.ts DELETED
@@ -1,11 +0,0 @@
1
- export interface NMRPeak1D {
2
- kind?: string;
3
- x: number;
4
- y: number;
5
- shape: {
6
- width: number;
7
- noiseLevel?: number;
8
- soft?: boolean;
9
- kind?: string;
10
- };
11
- }
package/src/types/NMRZone.ts DELETED
@@ -1,10 +0,0 @@
1
- import type { NMRSignal2D } from "./NMRSignal2D";
2
-
3
- interface FromTo { from: number, to: number }
4
-
5
- export interface NMRZone {
6
- x: FromTo,
7
- y: FromTo,
8
- id?: string;
9
- signals: NMRSignal2D
10
- }
package/src/types/XYNumberArray.ts DELETED
@@ -1,4 +0,0 @@
1
- export interface XYNumberArray {
2
- x: Array<number> | Float64Array;
3
- y: Array<number> | Float64Array;
4
- }
package/src/types/ml-gsd/index.d.ts DELETED
@@ -1,164 +0,0 @@
1
- declare module 'ml-gsd' {
2
- export interface XYNumberArray {
3
- x: Array<number> | Float64Array;
4
- y: Array<number> | Float64Array;
5
- }
6
-
7
- export interface GSDOptions {
8
- /**
9
- * Noise threshold in spectrum y units. Default is three/thresholdFactor times the absolute median of data.y.
10
- * @default `median(data.y) * (options.thresholdFactor || 3)`
11
- */
12
- noiseLevel?: number;
13
- /**
14
- * Threshold to determine if a given peak should be considered as a noise, bases on its relative height compared to the highest peak.
15
- * @default 0.01
16
- */
17
- minMaxRatio?: number;
18
- /**
19
- * If broadRatio is higher than 0, then all the peaks which second derivative smaller than broadRatio * maxAbsSecondDerivative will be marked with the soft mask equal to true.
20
- * @default 0.00025
21
- */
22
- broadRatio?: number;
23
- /**
24
- * Select the peak intensities from a smoothed version of the independent variables.
25
- * @default true
26
- */
27
- smoothY?: boolean;
28
- /**
29
- * if it is true, it optimizes the x and intensity by extrapolation.
30
- * @default false
31
- */
32
- realTopDetection?: boolean;
33
- /**
34
- * options to shape used to adapt the FWHM
35
- * @default {kind:'gaussian'}
36
- */
37
- shape?: { kind: string };
38
- /**
39
- * Options for savitz Golay
40
- */
41
- sgOptions?: { windowSize: number; polynomial: number };
42
- /**
43
- * filter based on intensity of the first derive.
44
- * @default -1
45
- */
46
- /**
47
- * Peaks are local maximum(true) or minimum(false)
48
- * @default true
49
- */
50
- maxCriteria?: boolean;
51
- /**
52
- * Filters based on the amplitude of the first derivative
53
- * @default -1
54
- */
55
- derivativeThreshold?: number;
56
- /**
57
- * Factor to multiply the calculated height (usually 2)
58
- * @default 0
59
- */
60
- heightFactor?: number;
61
- }
62
-
63
- export interface GSDPeak {
64
- x: number;
65
- y: number;
66
- shape: {
67
- width: number;
68
- noiseLevel?: number;
69
- soft?: boolean;
70
- kind?: string;
71
- };
72
- }
73
-
74
- export interface OptimizePeaksOptions {
75
- /**
76
- * factor to determine the width at the moment to group the peaks in signals in 'GSD.optimizePeaks' function.
77
- * @default 1
78
- */
79
- factorWidth?: number;
80
- /**
81
- * times of width to use to optimize peaks
82
- * @default 2
83
- */
84
- factorLimits?: number;
85
- /**
86
- * options to shape used to adapt the FWHM
87
- * @default {kind:'gaussian'}
88
- */
89
- shape?: { kind: string };
90
- /**
91
- * options for optimization step
92
- */
93
- optimization?: OptimizationOptions;
94
- }
95
-
96
- export interface OptimizationOptions {
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- /**
98
- * represent the algorithm to optimize.
99
- * @default {kind:'lm'}
100
- */
101
- kind?: string;
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- /**
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- * Time limit to stop the optimization in seconds.
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- * @default 10
105
- */
106
- timeout?: number;
107
- }
108
-
109
- export interface OptimizedPeak {
110
- x: number;
111
- y: number;
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- shape: {
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- width: number;
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- noiseLevel?: number;
115
- soft?: boolean;
116
- kind?: string;
117
- mu?: number;
118
- };
119
- }
120
-
121
- export function gsd(data: XYNumberArray, options?: GSDOptions): GSDPeak[];
122
-
123
- export function optimizePeaks(
124
- data: XYNumberArray,
125
- peakList: GSDPeak[],
126
- options?: OptimizePeaksOptions,
127
- ): OptimizedPeak[];
128
-
129
- export function joinBroadPeaks(
130
- peakList: GSDPeak[],
131
- options?: JoinBroadPeaksOptions,
132
- ): GSDPeak[];
133
-
134
- export interface JoinBroadPeaksOptions {
135
- /**
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- * @default 0.25
137
- */
138
- width: number;
139
- /**
140
- * @default { kind: 'gaussian' }
141
- */
142
- shape: { kind: string };
143
- /**
144
- * @default { kind: 'lm', timeout: 10 }
145
- */
146
- optimization: OptimizationOptions;
147
- }
148
-
149
- export function groupPeaks(peakList: GSDPeak[], factor?: number): GSDPeak[][];
150
-
151
- export function broadenPeaks(
152
- peakList: GSDPeak[],
153
- options?: {
154
- /**
155
- * @default 2
156
- */
157
- factor: number;
158
- /**
159
- * @default false
160
- */
161
- overlap: boolean;
162
- },
163
- ): GSDPeak[];
164
- }
package/src/types/prediction2D.ts DELETED
File without changes