nmr-processing 9.1.0 → 9.2.0

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 (127) hide show
  1. package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
  2. package/lib/index.d.ts +3 -2
  3. package/lib/index.js +1 -0
  4. package/lib/index.js.map +1 -1
  5. package/lib/prediction/{prediction1D.d.ts → Prediction1D.d.ts} +0 -0
  6. package/lib/prediction/{prediction1D.js → Prediction1D.js} +1 -1
  7. package/lib/prediction/Prediction1D.js.map +1 -0
  8. package/lib/prediction/predictAll.d.ts +1 -1
  9. package/lib/prediction/predictAll.js.map +1 -1
  10. package/lib/prediction/predictAllSpectra.js +2 -2
  11. package/lib/prediction/predictAllSpectra.js.map +1 -1
  12. package/lib/prediction/predictCOSY.d.ts +1 -1
  13. package/lib/prediction/predictCOSY.js.map +1 -1
  14. package/lib/prediction/predictCarbon.d.ts +1 -1
  15. package/lib/prediction/predictHMBC.d.ts +1 -1
  16. package/lib/prediction/predictHMBC.js.map +1 -1
  17. package/lib/prediction/predictHSQC.d.ts +1 -1
  18. package/lib/prediction/predictHSQC.js.map +1 -1
  19. package/lib/prediction/predictProton.d.ts +1 -1
  20. package/lib/prediction/utils/fetchPrediction.d.ts +1 -1
  21. package/lib/prediction/utils/getPredictions.d.ts +1 -1
  22. package/lib/prediction/utils/predict2D.d.ts +1 -1
  23. package/lib/prediction/utils/predict2D.js +1 -1
  24. package/lib/prediction/utils/predict2D.js.map +1 -1
  25. package/lib/signals/{jcoupling.d.ts → Jcoupling.d.ts} +0 -0
  26. package/lib/signals/{jcoupling.js → Jcoupling.js} +1 -1
  27. package/lib/signals/Jcoupling.js.map +1 -0
  28. package/lib/signals/NMRSignal1D.d.ts +1 -1
  29. package/lib/signals/addDummySignals.js +12 -7
  30. package/lib/signals/addDummySignals.js.map +1 -1
  31. package/lib/signals/optimization/defaultParameters.d.ts +1 -0
  32. package/lib/signals/optimization/defaultParameters.js +36 -0
  33. package/lib/signals/optimization/defaultParameters.js.map +1 -0
  34. package/lib/signals/optimization/directOptimization.d.ts +20 -0
  35. package/lib/signals/optimization/directOptimization.js +32 -0
  36. package/lib/signals/optimization/directOptimization.js.map +1 -0
  37. package/lib/signals/optimization/getInternalSignals.d.ts +54 -0
  38. package/lib/signals/optimization/getInternalSignals.js +150 -0
  39. package/lib/signals/optimization/getInternalSignals.js.map +1 -0
  40. package/lib/signals/optimization/getSumOfShapes.d.ts +4 -0
  41. package/lib/signals/optimization/getSumOfShapes.js +46 -0
  42. package/lib/signals/optimization/getSumOfShapes.js.map +1 -0
  43. package/lib/signals/optimization/signalsToPointXY.d.ts +9 -0
  44. package/lib/signals/optimization/signalsToPointXY.js +24 -0
  45. package/lib/signals/optimization/signalsToPointXY.js.map +1 -0
  46. package/lib/signals/optimizeSignals.d.ts +40 -0
  47. package/lib/signals/optimizeSignals.js +108 -0
  48. package/lib/signals/optimizeSignals.js.map +1 -0
  49. package/lib/signals/signalsJoin.d.ts +1 -1
  50. package/lib/signals/simulation/simulateXYPeaks.js +1 -1
  51. package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
  52. package/lib/xy/xyAutoPeaksPicking.d.ts +2 -2
  53. package/lib/xy/xyAutoPeaksPicking.js +2 -2
  54. package/lib/xy/xyAutoPeaksPicking.js.map +1 -1
  55. package/lib/xy/xyPeaksOptimization.js +2 -1
  56. package/lib/xy/xyPeaksOptimization.js.map +1 -1
  57. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
  58. package/lib-esm/index.js +1 -0
  59. package/lib-esm/index.js.map +1 -1
  60. package/lib-esm/prediction/Prediction1D.js +2 -0
  61. package/lib-esm/prediction/Prediction1D.js.map +1 -0
  62. package/lib-esm/prediction/predictAll.js.map +1 -1
  63. package/lib-esm/prediction/predictAllSpectra.js +2 -2
  64. package/lib-esm/prediction/predictAllSpectra.js.map +1 -1
  65. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  66. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  67. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  68. package/lib-esm/prediction/utils/predict2D.js +1 -1
  69. package/lib-esm/prediction/utils/predict2D.js.map +1 -1
  70. package/lib-esm/signals/Jcoupling.js +2 -0
  71. package/lib-esm/signals/Jcoupling.js.map +1 -0
  72. package/lib-esm/signals/addDummySignals.js +12 -7
  73. package/lib-esm/signals/addDummySignals.js.map +1 -1
  74. package/lib-esm/signals/optimization/defaultParameters.js +33 -0
  75. package/lib-esm/signals/optimization/defaultParameters.js.map +1 -0
  76. package/lib-esm/signals/optimization/directOptimization.js +25 -0
  77. package/lib-esm/signals/optimization/directOptimization.js.map +1 -0
  78. package/lib-esm/signals/optimization/getInternalSignals.js +146 -0
  79. package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -0
  80. package/lib-esm/signals/optimization/getSumOfShapes.js +42 -0
  81. package/lib-esm/signals/optimization/getSumOfShapes.js.map +1 -0
  82. package/lib-esm/signals/optimization/signalsToPointXY.js +20 -0
  83. package/lib-esm/signals/optimization/signalsToPointXY.js.map +1 -0
  84. package/lib-esm/signals/optimizeSignals.js +104 -0
  85. package/lib-esm/signals/optimizeSignals.js.map +1 -0
  86. package/lib-esm/signals/simulation/simulateXYPeaks.js +1 -1
  87. package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
  88. package/lib-esm/xy/xyAutoPeaksPicking.js +3 -3
  89. package/lib-esm/xy/xyAutoPeaksPicking.js.map +1 -1
  90. package/lib-esm/xy/xyPeaksOptimization.js +2 -1
  91. package/lib-esm/xy/xyPeaksOptimization.js.map +1 -1
  92. package/package.json +3 -2
  93. package/src/assignment/utils/getAssignment/buildAssignments.ts +1 -1
  94. package/src/index.ts +3 -2
  95. package/src/prediction/{prediction1D.ts → Prediction1D.ts} +0 -0
  96. package/src/prediction/predictAll.ts +1 -1
  97. package/src/prediction/predictAllSpectra.ts +2 -2
  98. package/src/prediction/predictCOSY.ts +1 -1
  99. package/src/prediction/predictCarbon.ts +1 -1
  100. package/src/prediction/predictHMBC.ts +1 -1
  101. package/src/prediction/predictHSQC.ts +1 -1
  102. package/src/prediction/predictProton.ts +1 -1
  103. package/src/prediction/utils/fetchPrediction.ts +1 -1
  104. package/src/prediction/utils/getPredictions.ts +1 -1
  105. package/src/prediction/utils/predict2D.ts +2 -2
  106. package/src/signal/signalJoinCouplings.ts +1 -1
  107. package/src/signals/{jcoupling.ts → Jcoupling.ts} +0 -0
  108. package/src/signals/NMRSignal1D.ts +1 -1
  109. package/src/signals/addDummySignals.ts +17 -7
  110. package/src/signals/optimization/defaultParameters.ts +45 -0
  111. package/src/signals/optimization/directOptimization.ts +49 -0
  112. package/src/signals/optimization/getInternalSignals.ts +287 -0
  113. package/src/signals/optimization/getSumOfShapes.ts +54 -0
  114. package/src/signals/optimization/signalsToPointXY.ts +37 -0
  115. package/src/signals/optimizeSignals.ts +173 -0
  116. package/src/signals/signalsJoin.ts +1 -1
  117. package/src/signals/signalsToXY.ts +1 -1
  118. package/src/signals/simulation/signalsToSpinSystem.ts +1 -1
  119. package/src/signals/simulation/simulateXYPeaks.ts +1 -2
  120. package/src/xy/xyAutoPeaksPicking.ts +10 -6
  121. package/src/xy/xyPeaksOptimization.ts +3 -1
  122. package/lib/prediction/prediction1D.js.map +0 -1
  123. package/lib/signals/jcoupling.js.map +0 -1
  124. package/lib-esm/prediction/prediction1D.js +0 -2
  125. package/lib-esm/prediction/prediction1D.js.map +0 -1
  126. package/lib-esm/signals/jcoupling.js +0 -2
  127. package/lib-esm/signals/jcoupling.js.map +0 -1
@@ -0,0 +1,150 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.getInternalSignals = void 0;
4
+ const ml_peak_shape_generator_1 = require("ml-peak-shape-generator");
5
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
6
+ const defaultParameters_1 = require("./defaultParameters");
7
+ const signalsToPointXY_1 = require("./signalsToPointXY");
8
+ const properties = ['init', 'min', 'max', 'gradientDifference'];
9
+ function getInternalSignals(data, signals, minMaxY, options) {
10
+ var _a, _b;
11
+ let index = 0;
12
+ let internalSignals = [];
13
+ const { shape: shapeAsOption = { kind: 'gaussian' }, baseline: shiftValue = minMaxY.min, lineWidth = 1, frequency, } = options;
14
+ const normalizedSignals = normalizeSignals({
15
+ signals,
16
+ data,
17
+ shiftValue,
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+ frequency,
19
+ range: minMaxY.range,
20
+ });
21
+ for (const signal of normalizedSignals) {
22
+ const { shape = { ...shapeAsOption } } = signal;
23
+ if (!shape.fwhm) {
24
+ shape.fwhm = lineWidth;
25
+ }
26
+ shape.fwhm /= frequency;
27
+ const shapeFct = (0, ml_peak_shape_generator_1.getShape1D)(shape);
28
+ const parameters = [
29
+ 'delta',
30
+ 'intensity',
31
+ ...shapeFct.getParameters(),
32
+ ];
33
+ const propertiesValues = {
34
+ min: [],
35
+ max: [],
36
+ init: [],
37
+ gradientDifference: [],
38
+ };
39
+ for (const parameter of parameters) {
40
+ for (const property of properties) {
41
+ propertiesValues[property].push(getPropertyValue({
42
+ signal,
43
+ frequency,
44
+ parameter,
45
+ property,
46
+ minMaxY,
47
+ shapeFct,
48
+ }));
49
+ }
50
+ }
51
+ for (const jCoupling of signal.js || []) {
52
+ for (const property of properties) {
53
+ const parameter = 'coupling';
54
+ let generalParameterValue = (_b = (_a = options === null || options === void 0 ? void 0 : options.parameters) === null || _a === void 0 ? void 0 : _a[parameter]) === null || _b === void 0 ? void 0 : _b[property];
55
+ if (generalParameterValue) {
56
+ if (typeof generalParameterValue === 'number') {
57
+ propertiesValues[property].push(getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline));
58
+ }
59
+ else {
60
+ let value = generalParameterValue({ jCoupling });
61
+ propertiesValues[property].push(getNormalizedValue(value, parameter, property, minMaxY, frequency, options.baseline));
62
+ }
63
+ }
64
+ if (!defaultParameters_1.defaultParameters[parameter]) {
65
+ throw new Error(`No default parameter for ${parameter}`);
66
+ }
67
+ const defaultParameterValues = defaultParameters_1.defaultParameters[parameter][property];
68
+ propertiesValues[property].push(defaultParameterValues({ jCoupling }));
69
+ }
70
+ }
71
+ const fromIndex = index;
72
+ const toIndex = fromIndex + parameters.length - 1;
73
+ const fromIndexCoupling = toIndex + 1;
74
+ const toIndexCoupling = fromIndexCoupling + signal.js.length - 1;
75
+ index += toIndexCoupling - fromIndex + 1;
76
+ internalSignals.push({
77
+ shape: shape,
78
+ shapeFct,
79
+ signal,
80
+ parameters,
81
+ propertiesValues,
82
+ fromIndex,
83
+ toIndex,
84
+ fromIndexCoupling,
85
+ toIndexCoupling,
86
+ });
87
+ }
88
+ return internalSignals;
89
+ }
90
+ exports.getInternalSignals = getInternalSignals;
91
+ function normalizeSignals(options) {
92
+ const { signals, data, frequency, shiftValue, range } = options;
93
+ const getMaxIntensity = (signal) => {
94
+ const peaks = (0, signalsToPointXY_1.signalsToPointXY)([signal], { frequency, maxClusterSize: 1 });
95
+ const biggestPeak = peaks.reduce((biggest, peak) => (peak.y > biggest.y ? peak : biggest), peaks[0]);
96
+ const { y: maxIntensity } = (0, ml_spectra_processing_1.xyFindClosestPoint)(data, biggestPeak.x);
97
+ return maxIntensity;
98
+ };
99
+ return signals.map((signal) => {
100
+ const { intensity = getMaxIntensity(signal) } = signal;
101
+ return {
102
+ ...signal,
103
+ js: signal.js || [],
104
+ intensity: (intensity - shiftValue) / range,
105
+ };
106
+ });
107
+ }
108
+ function getPropertyValue(options) {
109
+ var _a, _b, _c, _d;
110
+ const { signal, frequency, parameter, property, minMaxY, shapeFct } = options;
111
+ // check if the property is specified in the signal
112
+ let propertyValue = (_b = (_a = signal === null || signal === void 0 ? void 0 : signal.parameters) === null || _a === void 0 ? void 0 : _a[parameter]) === null || _b === void 0 ? void 0 : _b[property];
113
+ if (propertyValue) {
114
+ return getNormalizedValue(propertyValue, parameter, property, minMaxY, frequency, options.baseline);
115
+ }
116
+ // check if there are some global option, it could be a number or a callback
117
+ let generalParameterValue = (_d = (_c = options === null || options === void 0 ? void 0 : options.parameters) === null || _c === void 0 ? void 0 : _c[parameter]) === null || _d === void 0 ? void 0 : _d[property];
118
+ if (generalParameterValue) {
119
+ if (typeof generalParameterValue === 'number') {
120
+ return getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline);
121
+ }
122
+ else {
123
+ let value = generalParameterValue(signal);
124
+ return getNormalizedValue(value, parameter, property, minMaxY, frequency, options.baseline);
125
+ }
126
+ }
127
+ // we just need to take the default parameters
128
+ if (!defaultParameters_1.defaultParameters[parameter]) {
129
+ throw new Error(`No default parameter for ${parameter}`);
130
+ }
131
+ const defaultParameterValues = defaultParameters_1.defaultParameters[parameter][property];
132
+ return defaultParameterValues({ signal, shape: shapeFct });
133
+ }
134
+ function getNormalizedValue(value, parameter, property, minMaxY, frequency, baseline) {
135
+ if (parameter === 'intensity') {
136
+ if (property === 'gradientDifference') {
137
+ return value;
138
+ }
139
+ else {
140
+ return baseline !== undefined
141
+ ? (value - baseline) / minMaxY.range
142
+ : (value - minMaxY.min) / minMaxY.range;
143
+ }
144
+ }
145
+ else if (parameter === 'fwhm') {
146
+ return value / frequency;
147
+ }
148
+ return value;
149
+ }
150
+ //# sourceMappingURL=getInternalSignals.js.map
@@ -0,0 +1 @@
1
+ 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@@ -0,0 +1,4 @@
1
+ import { InternalSignal } from './getInternalSignals';
2
+ import { SignalsToPointXYOptions } from './signalsToPointXY';
3
+ export declare type SumOfShapes = (parameters: number[]) => (x: number) => number;
4
+ export declare function getSumOfShapes(internalSignals: InternalSignal[], options: SignalsToPointXYOptions): (parameters: number[]) => (currentX: number) => number;
@@ -0,0 +1,46 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.getSumOfShapes = void 0;
4
+ const signalsToPointXY_1 = require("./signalsToPointXY");
5
+ const defaultSimulationOptions = {
6
+ maxClusterSize: 1,
7
+ };
8
+ function getSumOfShapes(internalSignals, options) {
9
+ const simulationOptions = { ...defaultSimulationOptions, ...options };
10
+ return function sumOfShapes(parameters) {
11
+ const peaks = [];
12
+ for (const internalSignal of internalSignals) {
13
+ const delta = parameters[internalSignal.fromIndex];
14
+ const intensity = parameters[internalSignal.fromIndex + 1];
15
+ for (let i = 2; i < internalSignal.parameters.length; i++) {
16
+ //@ts-expect-error Not simply to solve the issue
17
+ internalSignal.shapeFct[internalSignal.parameters[i]] =
18
+ parameters[internalSignal.fromIndex + i];
19
+ }
20
+ const couplings = internalSignal.signal.js;
21
+ for (let i = 0; i < couplings.length; i++) {
22
+ couplings[i].coupling =
23
+ parameters[internalSignal.fromIndexCoupling + i];
24
+ }
25
+ const currentPeaks = (0, signalsToPointXY_1.signalsToPointXY)([
26
+ {
27
+ delta,
28
+ js: couplings,
29
+ },
30
+ ], simulationOptions);
31
+ peaks.push(...currentPeaks.map((peak) => {
32
+ return { intensity, shape: internalSignal.shapeFct, ...peak };
33
+ }));
34
+ }
35
+ return (currentX) => {
36
+ let totalY = 0;
37
+ for (let peak of peaks) {
38
+ const { x, y, intensity, shape } = peak;
39
+ totalY += y * intensity * shape.fct(currentX - x);
40
+ }
41
+ return totalY;
42
+ };
43
+ };
44
+ }
45
+ exports.getSumOfShapes = getSumOfShapes;
46
+ //# sourceMappingURL=getSumOfShapes.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"getSumOfShapes.js","sourceRoot":"","sources":["../../../src/signals/optimization/getSumOfShapes.ts"],"names":[],"mappings":";;;AACA,yDAA+E;AAI/E,MAAM,wBAAwB,GAAqC;IACjE,cAAc,EAAE,CAAC;CAClB,CAAC;AACF,SAAgB,cAAc,CAC5B,eAAiC,EACjC,OAAgC;IAEhC,MAAM,iBAAiB,GAAG,EAAE,GAAG,wBAAwB,EAAE,GAAG,OAAO,EAAE,CAAC;IACtE,OAAO,SAAS,WAAW,CAAC,UAAoB;QAC9C,MAAM,KAAK,GAAQ,EAAE,CAAC;QACtB,KAAK,MAAM,cAAc,IAAI,eAAe,EAAE;YAC5C,MAAM,KAAK,GAAG,UAAU,CAAC,cAAc,CAAC,SAAS,CAAC,CAAC;YACnD,MAAM,SAAS,GAAG,UAAU,CAAC,cAAc,CAAC,SAAS,GAAG,CAAC,CAAC,CAAC;YAC3D,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,cAAc,CAAC,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzD,gDAAgD;gBAChD,cAAc,CAAC,QAAQ,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;oBACnD,UAAU,CAAC,cAAc,CAAC,SAAS,GAAG,CAAC,CAAC,CAAC;aAC5C;YACD,MAAM,SAAS,GAAG,cAAc,CAAC,MAAM,CAAC,EAAE,CAAC;YAC3C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzC,SAAS,CAAC,CAAC,CAAC,CAAC,QAAQ;oBACnB,UAAU,CAAC,cAAc,CAAC,iBAAiB,GAAG,CAAC,CAAC,CAAC;aACpD;YACD,MAAM,YAAY,GAAG,IAAA,mCAAgB,EACnC;gBACE;oBACE,KAAK;oBACL,EAAE,EAAE,SAAS;iBACd;aACF,EACD,iBAAiB,CAClB,CAAC;YAEF,KAAK,CAAC,IAAI,CACR,GAAG,YAAY,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE;gBAC3B,OAAO,EAAE,SAAS,EAAE,KAAK,EAAE,cAAc,CAAC,QAAQ,EAAE,GAAG,IAAI,EAAE,CAAC;YAChE,CAAC,CAAC,CACH,CAAC;SACH;QACD,OAAO,CAAC,QAAgB,EAAE,EAAE;YAC1B,IAAI,MAAM,GAAG,CAAC,CAAC;YACf,KAAK,IAAI,IAAI,IAAI,KAAK,EAAE;gBACtB,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,SAAS,EAAE,KAAK,EAAE,GAAG,IAAI,CAAC;gBACxC,MAAM,IAAI,CAAC,GAAG,SAAS,GAAG,KAAK,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;aACnD;YACD,OAAO,MAAM,CAAC;QAChB,CAAC,CAAC;IACJ,CAAC,CAAC;AACJ,CAAC;AA7CD,wCA6CC"}
@@ -0,0 +1,9 @@
1
+ import { NMRSignal1D } from '../NMRSignal1D';
2
+ export interface SignalsToPointXYOptions {
3
+ frequency: number;
4
+ maxClusterSize?: number;
5
+ }
6
+ export declare function signalsToPointXY(signals: NMRSignal1D[], options: SignalsToPointXYOptions): {
7
+ x: number;
8
+ y: number;
9
+ }[];
@@ -0,0 +1,24 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.signalsToPointXY = void 0;
4
+ const addDummySignals_1 = require("../addDummySignals");
5
+ const signalsToSpinSystem_1 = require("../simulation/signalsToSpinSystem");
6
+ const simulateXYPeaks_1 = require("../simulation/simulateXYPeaks");
7
+ const splitSpinSystem_1 = require("../simulation/splitSpinSystem");
8
+ function signalsToPointXY(signals, options) {
9
+ const { frequency, maxClusterSize = 1 } = options;
10
+ const completeSignalSet = (0, addDummySignals_1.addDummySignals)(signals);
11
+ const spinSystem = (0, signalsToSpinSystem_1.signalsToSpinSystem)(completeSignalSet);
12
+ spinSystem.clusters = (0, splitSpinSystem_1.splitSpinSystem)(spinSystem, {
13
+ frequency,
14
+ maxClusterSize,
15
+ });
16
+ const pointsXY = (0, simulateXYPeaks_1.simulateXYPeaks)(spinSystem, options).filter((point) => point.x < 1000);
17
+ const maxIntensity = pointsXY.reduce((max, peak) => (peak.y > max ? peak.y : max), Number.MIN_SAFE_INTEGER);
18
+ for (const point of pointsXY) {
19
+ point.y /= maxIntensity;
20
+ }
21
+ return pointsXY;
22
+ }
23
+ exports.signalsToPointXY = signalsToPointXY;
24
+ //# sourceMappingURL=signalsToPointXY.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"signalsToPointXY.js","sourceRoot":"","sources":["../../../src/signals/optimization/signalsToPointXY.ts"],"names":[],"mappings":";;;AACA,wDAAqD;AACrD,2EAAwE;AACxE,mEAAgE;AAChE,mEAAgE;AAOhE,SAAgB,gBAAgB,CAC9B,OAAsB,EACtB,OAAgC;IAEhC,MAAM,EAAE,SAAS,EAAE,cAAc,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAClD,MAAM,iBAAiB,GAAG,IAAA,iCAAe,EAAC,OAAO,CAAC,CAAC;IAEnD,MAAM,UAAU,GAAG,IAAA,yCAAmB,EAAC,iBAAiB,CAAC,CAAC;IAC1D,UAAU,CAAC,QAAQ,GAAG,IAAA,iCAAe,EAAC,UAAU,EAAE;QAChD,SAAS;QACT,cAAc;KACf,CAAC,CAAC;IACH,MAAM,QAAQ,GAAG,IAAA,iCAAe,EAAC,UAAU,EAAE,OAAO,CAAC,CAAC,MAAM,CAC1D,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,CAAC,GAAG,IAAI,CAC1B,CAAC;IAEF,MAAM,YAAY,GAAG,QAAQ,CAAC,MAAM,CAClC,CAAC,GAAG,EAAE,IAAI,EAAE,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,EAC5C,MAAM,CAAC,gBAAgB,CACxB,CAAC;IAEF,KAAK,MAAM,KAAK,IAAI,QAAQ,EAAE;QAC5B,KAAK,CAAC,CAAC,IAAI,YAAY,CAAC;KACzB;IACD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAzBD,4CAyBC"}
@@ -0,0 +1,40 @@
1
+ import { DataXY } from 'cheminfo-types';
2
+ import { Shape1D } from 'ml-peak-shape-generator';
3
+ import { NMRPeak1D } from '../peaks/NMRPeak1D';
4
+ import { NMRSignal1D } from './NMRSignal1D';
5
+ import { ParametersFromOptions, Shape1DWithFWHM } from './optimization/getInternalSignals';
6
+ import { SignalsToPointXYOptions } from './optimization/signalsToPointXY';
7
+ declare type ParametersFromSignal = Record<string, Record<string, number>>;
8
+ export interface Signal extends NMRSignal1D {
9
+ intensity?: number;
10
+ shape?: Shape1D;
11
+ parameters?: ParametersFromSignal;
12
+ }
13
+ export interface NMRPeak1DFull extends NMRPeak1D {
14
+ id: string;
15
+ shape: Shape1DWithFWHM;
16
+ width: number;
17
+ }
18
+ export interface OptimizeSignalsOptions {
19
+ /**
20
+ * Initial line width in Hz
21
+ * @default 1
22
+ */
23
+ lineWidth?: number;
24
+ baseline?: number;
25
+ shape?: Shape1D;
26
+ parameters?: ParametersFromOptions;
27
+ optimization?: any;
28
+ simulation: SignalsToPointXYOptions;
29
+ }
30
+ export declare function optimizeSignals(data: DataXY, signals: Signal[], options: OptimizeSignalsOptions): {
31
+ delta: number;
32
+ js: import("./Jcoupling").Jcoupling[];
33
+ shape: {
34
+ kind: "gaussian" | "lorentzian" | "pseudoVoigt";
35
+ fwhm: number;
36
+ };
37
+ intensity: number;
38
+ peaks: NMRPeak1DFull[];
39
+ }[];
40
+ export {};
@@ -0,0 +1,108 @@
1
+ "use strict";
2
+ Object.defineProperty(exports, "__esModule", { value: true });
3
+ exports.optimizeSignals = void 0;
4
+ const uuid_1 = require("@lukeed/uuid");
5
+ const ml_levenberg_marquardt_1 = require("ml-levenberg-marquardt");
6
+ const ml_peak_shape_generator_1 = require("ml-peak-shape-generator");
7
+ const ml_spectra_processing_1 = require("ml-spectra-processing");
8
+ const directOptimization_1 = require("./optimization/directOptimization");
9
+ const getInternalSignals_1 = require("./optimization/getInternalSignals");
10
+ const getSumOfShapes_1 = require("./optimization/getSumOfShapes");
11
+ const signalsToPointXY_1 = require("./optimization/signalsToPointXY");
12
+ const defaultLMOptimizationOptions = {
13
+ damping: 1.5,
14
+ maxIterations: 100,
15
+ errorTolerance: 1e-8,
16
+ };
17
+ const defaultDirectOptimizationOptions = {
18
+ iterations: 25,
19
+ };
20
+ function optimizeSignals(data, signals, options) {
21
+ const { optimization = {}, simulation: simulationOptions, ...restOptions } = options;
22
+ let temp = (0, ml_spectra_processing_1.xMinMaxValues)(data.y);
23
+ const minMaxY = { ...temp, range: temp.max - temp.min };
24
+ const internalSignals = (0, getInternalSignals_1.getInternalSignals)(data, signals, minMaxY, {
25
+ frequency: simulationOptions.frequency,
26
+ ...restOptions,
27
+ });
28
+ const { baseline: shiftValue = minMaxY.min } = options;
29
+ let normalizedY = new Float64Array(data.y.length);
30
+ for (let i = 0; i < data.y.length; i++) {
31
+ normalizedY[i] = (data.y[i] - shiftValue) / minMaxY.range;
32
+ }
33
+ const nbParams = internalSignals[internalSignals.length - 1].toIndexCoupling + 1;
34
+ const minValues = new Float64Array(nbParams);
35
+ const maxValues = new Float64Array(nbParams);
36
+ const initialValues = new Float64Array(nbParams);
37
+ const gradientDifferences = new Float64Array(nbParams);
38
+ let index = 0;
39
+ for (const internalSignal of internalSignals) {
40
+ for (let i = 0; i < internalSignal.parameters.length; i++) {
41
+ minValues[index] = internalSignal.propertiesValues.min[i];
42
+ maxValues[index] = internalSignal.propertiesValues.max[i];
43
+ initialValues[index] = internalSignal.propertiesValues.init[i];
44
+ gradientDifferences[index++] =
45
+ internalSignal.propertiesValues.gradientDifference[i];
46
+ }
47
+ for (let i = internalSignal.parameters.length; i < internalSignal.parameters.length + internalSignal.signal.js.length; i++) {
48
+ minValues[index] = internalSignal.propertiesValues.min[i];
49
+ maxValues[index] = internalSignal.propertiesValues.max[i];
50
+ initialValues[index] = internalSignal.propertiesValues.init[i];
51
+ gradientDifferences[index++] =
52
+ internalSignal.propertiesValues.gradientDifference[i];
53
+ }
54
+ }
55
+ const sumOfShapes = (0, getSumOfShapes_1.getSumOfShapes)(internalSignals, simulationOptions);
56
+ const { kind, options: optimizationOptions } = optimization;
57
+ const [algorithm, defaultOptimizationOptions] = kind === 'direct'
58
+ ? [directOptimization_1.directOptimization, defaultDirectOptimizationOptions]
59
+ : [ml_levenberg_marquardt_1.levenbergMarquardt, defaultLMOptimizationOptions];
60
+ let fitted = algorithm({ x: data.x, y: normalizedY }, sumOfShapes, {
61
+ minValues,
62
+ maxValues,
63
+ initialValues,
64
+ gradientDifference: gradientDifferences,
65
+ ...defaultOptimizationOptions,
66
+ ...optimizationOptions,
67
+ });
68
+ const fittedValues = fitted.parameterValues;
69
+ const newSignals = [];
70
+ for (const internalSignal of internalSignals) {
71
+ const { fromIndexCoupling } = internalSignal;
72
+ const js = internalSignal.signal.js.map((jCoupling, i) => {
73
+ jCoupling.coupling = fittedValues[fromIndexCoupling + i];
74
+ return jCoupling;
75
+ });
76
+ const delta = fittedValues[internalSignal.fromIndex];
77
+ const pointXYs = (0, signalsToPointXY_1.signalsToPointXY)([{ delta, js }], simulationOptions);
78
+ const intensity = fittedValues[internalSignal.fromIndex + 1] * minMaxY.range + shiftValue;
79
+ const newPeaks = [];
80
+ for (const { x, y } of pointXYs) {
81
+ const peak = {
82
+ id: (0, uuid_1.v4)(),
83
+ x,
84
+ y: intensity * y,
85
+ width: 0,
86
+ shape: { ...internalSignal.shape },
87
+ };
88
+ for (let i = 2; i < internalSignal.parameters.length; i++) {
89
+ //@ts-expect-error should be fixed once
90
+ peak.shape[internalSignal.parameters[i]] =
91
+ fittedValues[internalSignal.fromIndex + i];
92
+ }
93
+ peak.shape.fwhm *= simulationOptions.frequency;
94
+ peak.width = (0, ml_peak_shape_generator_1.getShape1D)(peak.shape).fwhmToWidth(peak.shape.fwhm);
95
+ newPeaks.push(peak);
96
+ }
97
+ newSignals.push({
98
+ delta,
99
+ js,
100
+ shape: { ...newPeaks[0].shape },
101
+ intensity,
102
+ peaks: newPeaks,
103
+ });
104
+ }
105
+ return newSignals;
106
+ }
107
+ exports.optimizeSignals = optimizeSignals;
108
+ //# sourceMappingURL=optimizeSignals.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"optimizeSignals.js","sourceRoot":"","sources":["../../src/signals/optimizeSignals.ts"],"names":[],"mappings":";;;AAAA,uCAAkC;AAElC,mEAA4D;AAC5D,qEAA8D;AAC9D,iEAAsD;AAKtD,0EAAuE;AACvE,0EAI2C;AAC3C,kEAA+D;AAC/D,sEAGyC;AAEzC,MAAM,4BAA4B,GAAG;IACnC,OAAO,EAAE,GAAG;IACZ,aAAa,EAAE,GAAG;IAClB,cAAc,EAAE,IAAI;CACrB,CAAC;AAEF,MAAM,gCAAgC,GAAG;IACvC,UAAU,EAAE,EAAE;CACf,CAAC;AA6BF,SAAgB,eAAe,CAC7B,IAAY,EACZ,OAAiB,EACjB,OAA+B;IAE/B,MAAM,EACJ,YAAY,GAAG,EAAE,EACjB,UAAU,EAAE,iBAAiB,EAC7B,GAAG,WAAW,EACf,GAAG,OAAO,CAAC;IACZ,IAAI,IAAI,GAAG,IAAA,qCAAa,EAAC,IAAI,CAAC,CAAC,CAAC,CAAC;IACjC,MAAM,OAAO,GAAG,EAAE,GAAG,IAAI,EAAE,KAAK,EAAE,IAAI,CAAC,GAAG,GAAG,IAAI,CAAC,GAAG,EAAE,CAAC;IAExD,MAAM,eAAe,GAAG,IAAA,uCAAkB,EAAC,IAAI,EAAE,OAAO,EAAE,OAAO,EAAE;QACjE,SAAS,EAAE,iBAAiB,CAAC,SAAS;QACtC,GAAG,WAAW;KACf,CAAC,CAAC;IACH,MAAM,EAAE,QAAQ,EAAE,UAAU,GAAG,OAAO,CAAC,GAAG,EAAE,GAAG,OAAO,CAAC;IACvD,IAAI,WAAW,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;IAClD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACtC,WAAW,CAAC,CAAC,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC;KAC3D;IAED,MAAM,QAAQ,GACZ,eAAe,CAAC,eAAe,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,eAAe,GAAG,CAAC,CAAC;IAClE,MAAM,SAAS,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAC7C,MAAM,SAAS,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAC7C,MAAM,aAAa,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACjD,MAAM,mBAAmB,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACvD,IAAI,KAAK,GAAG,CAAC,CAAC;IACd,KAAK,MAAM,cAAc,IAAI,eAAe,EAAE;QAC5C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,cAAc,CAAC,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACzD,SAAS,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;YAC1D,SAAS,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;YAC1D,aAAa,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;YAC/D,mBAAmB,CAAC,KAAK,EAAE,CAAC;gBAC1B,cAAc,CAAC,gBAAgB,CAAC,kBAAkB,CAAC,CAAC,CAAC,CAAC;SACzD;QACD,KACE,IAAI,CAAC,GAAG,cAAc,CAAC,UAAU,CAAC,MAAM,EACxC,CAAC,GAAG,cAAc,CAAC,UAAU,CAAC,MAAM,GAAG,cAAc,CAAC,MAAM,CAAC,EAAE,CAAC,MAAM,EACtE,CAAC,EAAE,EACH;YACA,SAAS,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;YAC1D,SAAS,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;YAC1D,aAAa,CAAC,KAAK,CAAC,GAAG,cAAc,CAAC,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;YAC/D,mBAAmB,CAAC,KAAK,EAAE,CAAC;gBAC1B,cAAc,CAAC,gBAAgB,CAAC,kBAAkB,CAAC,CAAC,CAAC,CAAC;SACzD;KACF;IACD,MAAM,WAAW,GAAG,IAAA,+BAAc,EAAC,eAAe,EAAE,iBAAiB,CAAC,CAAC;IAEvE,MAAM,EAAE,IAAI,EAAE,OAAO,EAAE,mBAAmB,EAAE,GAAG,YAAY,CAAC;IAE5D,MAAM,CAAC,SAAS,EAAE,0BAA0B,CAAC,GAC3C,IAAI,KAAK,QAAQ;QACf,CAAC,CAAC,CAAC,uCAAkB,EAAE,gCAAgC,CAAC;QACxD,CAAC,CAAC,CAAC,2CAAkB,EAAE,4BAA4B,CAAC,CAAC;IAEzD,IAAI,MAAM,GAAG,SAAS,CAAC,EAAE,CAAC,EAAE,IAAI,CAAC,CAAC,EAAE,CAAC,EAAE,WAAW,EAAE,EAAE,WAAW,EAAE;QACjE,SAAS;QACT,SAAS;QACT,aAAa;QACb,kBAAkB,EAAE,mBAAmB;QACvC,GAAG,0BAA0B;QAC7B,GAAG,mBAAmB;KACvB,CAAC,CAAC;IAEH,MAAM,YAAY,GAAG,MAAM,CAAC,eAAe,CAAC;IAC5C,MAAM,UAAU,GAAG,EAAE,CAAC;IAEtB,KAAK,MAAM,cAAc,IAAI,eAAe,EAAE;QAC5C,MAAM,EAAE,iBAAiB,EAAE,GAAG,cAAc,CAAC;QAC7C,MAAM,EAAE,GAAG,cAAc,CAAC,MAAM,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;YACvD,SAAS,CAAC,QAAQ,GAAG,YAAY,CAAC,iBAAiB,GAAG,CAAC,CAAC,CAAC;YACzD,OAAO,SAAS,CAAC;QACnB,CAAC,CAAC,CAAC;QAEH,MAAM,KAAK,GAAG,YAAY,CAAC,cAAc,CAAC,SAAS,CAAC,CAAC;QACrD,MAAM,QAAQ,GAAG,IAAA,mCAAgB,EAAC,CAAC,EAAE,KAAK,EAAE,EAAE,EAAE,CAAC,EAAE,iBAAiB,CAAC,CAAC;QAEtE,MAAM,SAAS,GACb,YAAY,CAAC,cAAc,CAAC,SAAS,GAAG,CAAC,CAAC,GAAG,OAAO,CAAC,KAAK,GAAG,UAAU,CAAC;QAE1E,MAAM,QAAQ,GAAoB,EAAE,CAAC;QACrC,KAAK,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,IAAI,QAAQ,EAAE;YAC/B,MAAM,IAAI,GAAG;gBACX,EAAE,EAAE,IAAA,SAAE,GAAE;gBACR,CAAC;gBACD,CAAC,EAAE,SAAS,GAAG,CAAC;gBAChB,KAAK,EAAE,CAAC;gBACR,KAAK,EAAE,EAAE,GAAG,cAAc,CAAC,KAAK,EAAE;aACnC,CAAC;YACF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,cAAc,CAAC,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzD,uCAAuC;gBACvC,IAAI,CAAC,KAAK,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;oBACtC,YAAY,CAAC,cAAc,CAAC,SAAS,GAAG,CAAC,CAAC,CAAC;aAC9C;YAED,IAAI,CAAC,KAAK,CAAC,IAAI,IAAI,iBAAiB,CAAC,SAAS,CAAC;YAC/C,IAAI,CAAC,KAAK,GAAG,IAAA,oCAAU,EAAC,IAAI,CAAC,KAAK,CAAC,CAAC,WAAW,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;YACjE,QAAQ,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;SACrB;QAED,UAAU,CAAC,IAAI,CAAC;YACd,KAAK;YACL,EAAE;YACF,KAAK,EAAE,EAAE,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE;YAC/B,SAAS;YACT,KAAK,EAAE,QAAQ;SAChB,CAAC,CAAC;KACJ;IAED,OAAO,UAAU,CAAC;AACpB,CAAC;AAlHD,0CAkHC"}
@@ -1,7 +1,7 @@
1
1
  import type { SignalJoinCouplingsOptions } from '../signal/signalJoinCouplings';
2
2
  import type { MakeMandatory } from '../utilities/MakeMandatory';
3
+ import type { Jcoupling } from './Jcoupling';
3
4
  import type { NMRSignal1D } from './NMRSignal1D';
4
- import type { Jcoupling } from './jcoupling';
5
5
  export interface SignalsJoinOptions {
6
6
  /**
7
7
  * options for signalJoinCouplings
@@ -168,7 +168,7 @@ spinSystem, options = {}) {
168
168
  });
169
169
  }
170
170
  }
171
- return xyPeaks;
171
+ return xyPeaks.filter((peak) => peak.x < 1000);
172
172
  }
173
173
  exports.simulateXYPeaks = simulateXYPeaks;
174
174
  function triuTimesAbs(A, val) {
@@ -1 +1 @@
1
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1
+ 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@@ -42,5 +42,5 @@ export interface OptionsXYAutoPeaksPicking extends Partial<GetPeakListOptions> {
42
42
  */
43
43
  frequency: number;
44
44
  }
45
- export declare type NMRPeak1DWithID = MakeMandatory<NMRPeak1D, 'id'>;
46
- export declare function xyAutoPeaksPicking(data: DataXY, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithID[];
45
+ export declare type NMRPeak1DWithShapeID = MakeMandatory<NMRPeak1D, 'id' | 'shape'>;
46
+ export declare function xyAutoPeaksPicking(data: DataXY, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithShapeID[];
@@ -56,8 +56,7 @@ function getNegativePeaks(data, cutOff, getPeakOptions) {
56
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  }
57
57
  function getPeakList(data, options) {
58
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  const { shape, frequency, broadWidth, optimize, maxCriteria, factorLimits, sgOptions, minMaxRatio, broadRatio, noiseLevel, smoothY, optimization, realTopDetection, } = options;
59
- let peakList = (0, ml_gsd_1.gsd)(data, {
60
- shape,
59
+ const peaks = (0, ml_gsd_1.gsd)(data, {
61
60
  sgOptions,
62
61
  maxCriteria,
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  minMaxRatio,
@@ -65,6 +64,7 @@ function getPeakList(data, options) {
65
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  smoothY,
66
65
  realTopDetection,
67
66
  });
67
+ const peakList = (0, ml_gsd_1.setShape)(peaks, { output: peaks, shape });
68
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  const newPeaks = broadWidth
69
69
  ? (0, ml_gsd_1.joinBroadPeaks)(peakList, {
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  broadRatio,
@@ -1 +1 @@
1
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@@ -8,10 +8,11 @@ function xyPeaksOptimization(data, peaks, options) {
8
8
  const { frequency } = options;
9
9
  const newPeaks = (0, convertWidthToPPM_1.convertWidthToPPM)(peaks, { frequency });
10
10
  const optimizedPeaks = (0, ml_gsd_1.optimizePeaks)(data, newPeaks, options);
11
- return (0, convertWidthToHz_1.convertWidthToHz)(optimizedPeaks, {
11
+ const result = (0, convertWidthToHz_1.convertWidthToHz)(optimizedPeaks, {
12
12
  frequency,
13
13
  output: optimizedPeaks,
14
14
  });
15
+ return result;
15
16
  }
16
17
  exports.xyPeaksOptimization = xyPeaksOptimization;
17
18
  //# sourceMappingURL=xyPeaksOptimization.js.map
@@ -1 +1 @@
1
- {"version":3,"file":"xyPeaksOptimization.js","sourceRoot":"","sources":["../../src/xy/xyPeaksOptimization.ts"],"names":[],"mappings":";;;AACA,mCAA6D;AAE7D,qEAAkE;AAClE,uEAAoE;AAQpE,SAAgB,mBAAmB,CACjC,IAAY,EACZ,KAAU,EACV,OAAmC;IAEnC,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,MAAM,QAAQ,GAAG,IAAA,qCAAiB,EAAC,KAAK,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;IACzD,MAAM,cAAc,GAAG,IAAA,sBAAa,EAAC,IAAI,EAAE,QAAQ,EAAE,OAAO,CAAC,CAAC;IAC9D,OAAO,IAAA,mCAAgB,EAAC,cAAc,EAAE;QACtC,SAAS;QACT,MAAM,EAAE,cAAc;KACvB,CAAC,CAAC;AACL,CAAC;AAZD,kDAYC"}
1
+ {"version":3,"file":"xyPeaksOptimization.js","sourceRoot":"","sources":["../../src/xy/xyPeaksOptimization.ts"],"names":[],"mappings":";;;AACA,mCAA6D;AAE7D,qEAAkE;AAClE,uEAAoE;AASpE,SAAgB,mBAAmB,CACjC,IAAY,EACZ,KAAU,EACV,OAAmC;IAEnC,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,MAAM,QAAQ,GAAG,IAAA,qCAAiB,EAAC,KAAK,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;IACzD,MAAM,cAAc,GAAG,IAAA,sBAAa,EAAC,IAAI,EAAE,QAAQ,EAAE,OAAO,CAAC,CAAC;IAC9D,MAAM,MAAM,GAAG,IAAA,mCAAgB,EAAC,cAAc,EAAE;QAC9C,SAAS;QACT,MAAM,EAAE,cAAc;KACvB,CAAC,CAAC;IACH,OAAO,MAAM,CAAC;AAChB,CAAC;AAbD,kDAaC"}
@@ -1 +1 @@
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package/lib-esm/index.js CHANGED
@@ -19,6 +19,7 @@ export * from './ranges/rangesToXY';
19
19
  export * from './signals/signalsToRanges';
20
20
  export * from './signals/signalsToXY';
21
21
  export * from './signals/signals2DToZ';
22
+ export * from './signals/optimizeSignals';
22
23
  export * from './utilities/resurrect';
23
24
  export * from './utilities/rangeFromSignal';
24
25
  export * from './utilities/getFrequency';
@@ -1 +1 @@
1
- {"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AAEvC,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AAEzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AAEtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAE7C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAE3C,cAAc,2BAA2B,CAAC"}
1
+ {"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AACvC,cAAc,2BAA2B,CAAC;AAE1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AAEzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AAEtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAE7C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAE3C,cAAc,2BAA2B,CAAC"}
@@ -0,0 +1,2 @@
1
+ export {};
2
+ //# sourceMappingURL=Prediction1D.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"Prediction1D.js","sourceRoot":"","sources":["../../src/prediction/Prediction1D.ts"],"names":[],"mappings":""}
@@ -1 +1 @@
1
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