jcampconverter 9.2.0 → 9.2.2

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 (156) hide show
  1. package/jcampconverter.cjs +8 -0
  2. package/{lib/convert.d.ts → jcampconverter.d.ts} +222 -182
  3. package/jcampconverter.mjs +8 -0
  4. package/package.json +27 -19
  5. package/lib/2d/add2D.d.ts +0 -2
  6. package/lib/2d/add2D.d.ts.map +0 -1
  7. package/lib/2d/add2D.js +0 -17
  8. package/lib/2d/add2D.js.map +0 -1
  9. package/lib/2d/convertTo3DZ.d.ts +0 -11
  10. package/lib/2d/convertTo3DZ.d.ts.map +0 -1
  11. package/lib/2d/convertTo3DZ.js +0 -59
  12. package/lib/2d/convertTo3DZ.js.map +0 -1
  13. package/lib/2d/generateContourLines.d.ts +0 -8
  14. package/lib/2d/generateContourLines.d.ts.map +0 -1
  15. package/lib/2d/generateContourLines.js +0 -163
  16. package/lib/2d/generateContourLines.js.map +0 -1
  17. package/lib/complexChromatogram.d.ts +0 -4
  18. package/lib/complexChromatogram.d.ts.map +0 -1
  19. package/lib/complexChromatogram.js +0 -49
  20. package/lib/complexChromatogram.js.map +0 -1
  21. package/lib/convert.d.ts.map +0 -1
  22. package/lib/convert.js +0 -412
  23. package/lib/convert.js.map +0 -1
  24. package/lib/convertToFloatArray.d.ts +0 -2
  25. package/lib/convertToFloatArray.d.ts.map +0 -1
  26. package/lib/convertToFloatArray.js +0 -11
  27. package/lib/convertToFloatArray.js.map +0 -1
  28. package/lib/createTree.d.ts +0 -29
  29. package/lib/createTree.d.ts.map +0 -1
  30. package/lib/createTree.js +0 -101
  31. package/lib/createTree.js.map +0 -1
  32. package/lib/index.d.ts +0 -3
  33. package/lib/index.d.ts.map +0 -1
  34. package/lib/index.js +0 -8
  35. package/lib/index.js.map +0 -1
  36. package/lib/parse/fastParseXYData.d.ts +0 -2
  37. package/lib/parse/fastParseXYData.d.ts.map +0 -1
  38. package/lib/parse/fastParseXYData.js +0 -193
  39. package/lib/parse/fastParseXYData.js.map +0 -1
  40. package/lib/parse/parsePeakTable.d.ts +0 -2
  41. package/lib/parse/parsePeakTable.d.ts.map +0 -1
  42. package/lib/parse/parsePeakTable.js +0 -67
  43. package/lib/parse/parsePeakTable.js.map +0 -1
  44. package/lib/parse/parseXYA.d.ts +0 -2
  45. package/lib/parse/parseXYA.d.ts.map +0 -1
  46. package/lib/parse/parseXYA.js +0 -51
  47. package/lib/parse/parseXYA.js.map +0 -1
  48. package/lib/postProcessing.d.ts +0 -2
  49. package/lib/postProcessing.d.ts.map +0 -1
  50. package/lib/postProcessing.js +0 -93
  51. package/lib/postProcessing.js.map +0 -1
  52. package/lib/postProcessingNMR.d.ts +0 -2
  53. package/lib/postProcessingNMR.d.ts.map +0 -1
  54. package/lib/postProcessingNMR.js +0 -95
  55. package/lib/postProcessingNMR.js.map +0 -1
  56. package/lib/prepareNtuplesDatatable.d.ts +0 -2
  57. package/lib/prepareNtuplesDatatable.d.ts.map +0 -1
  58. package/lib/prepareNtuplesDatatable.js +0 -87
  59. package/lib/prepareNtuplesDatatable.js.map +0 -1
  60. package/lib/prepareSpectrum.d.ts +0 -2
  61. package/lib/prepareSpectrum.d.ts.map +0 -1
  62. package/lib/prepareSpectrum.js +0 -10
  63. package/lib/prepareSpectrum.js.map +0 -1
  64. package/lib/profiling.d.ts +0 -2
  65. package/lib/profiling.d.ts.map +0 -1
  66. package/lib/profiling.js +0 -13
  67. package/lib/profiling.js.map +0 -1
  68. package/lib/simpleChromatogram.d.ts +0 -2
  69. package/lib/simpleChromatogram.d.ts.map +0 -1
  70. package/lib/simpleChromatogram.js +0 -16
  71. package/lib/simpleChromatogram.js.map +0 -1
  72. package/lib-esm/2d/add2D.d.ts +0 -2
  73. package/lib-esm/2d/add2D.d.ts.map +0 -1
  74. package/lib-esm/2d/add2D.js +0 -11
  75. package/lib-esm/2d/add2D.js.map +0 -1
  76. package/lib-esm/2d/convertTo3DZ.d.ts +0 -11
  77. package/lib-esm/2d/convertTo3DZ.d.ts.map +0 -1
  78. package/lib-esm/2d/convertTo3DZ.js +0 -53
  79. package/lib-esm/2d/convertTo3DZ.js.map +0 -1
  80. package/lib-esm/2d/generateContourLines.d.ts +0 -8
  81. package/lib-esm/2d/generateContourLines.d.ts.map +0 -1
  82. package/lib-esm/2d/generateContourLines.js +0 -160
  83. package/lib-esm/2d/generateContourLines.js.map +0 -1
  84. package/lib-esm/complexChromatogram.d.ts +0 -4
  85. package/lib-esm/complexChromatogram.d.ts.map +0 -1
  86. package/lib-esm/complexChromatogram.js +0 -43
  87. package/lib-esm/complexChromatogram.js.map +0 -1
  88. package/lib-esm/convert.d.ts +0 -182
  89. package/lib-esm/convert.d.ts.map +0 -1
  90. package/lib-esm/convert.js +0 -405
  91. package/lib-esm/convert.js.map +0 -1
  92. package/lib-esm/convertToFloatArray.d.ts +0 -2
  93. package/lib-esm/convertToFloatArray.d.ts.map +0 -1
  94. package/lib-esm/convertToFloatArray.js +0 -8
  95. package/lib-esm/convertToFloatArray.js.map +0 -1
  96. package/lib-esm/createTree.d.ts +0 -29
  97. package/lib-esm/createTree.d.ts.map +0 -1
  98. package/lib-esm/createTree.js +0 -97
  99. package/lib-esm/createTree.js.map +0 -1
  100. package/lib-esm/index.d.ts +0 -3
  101. package/lib-esm/index.d.ts.map +0 -1
  102. package/lib-esm/index.js +0 -3
  103. package/lib-esm/index.js.map +0 -1
  104. package/lib-esm/parse/fastParseXYData.d.ts +0 -2
  105. package/lib-esm/parse/fastParseXYData.d.ts.map +0 -1
  106. package/lib-esm/parse/fastParseXYData.js +0 -190
  107. package/lib-esm/parse/fastParseXYData.js.map +0 -1
  108. package/lib-esm/parse/parsePeakTable.d.ts +0 -2
  109. package/lib-esm/parse/parsePeakTable.d.ts.map +0 -1
  110. package/lib-esm/parse/parsePeakTable.js +0 -64
  111. package/lib-esm/parse/parsePeakTable.js.map +0 -1
  112. package/lib-esm/parse/parseXYA.d.ts +0 -2
  113. package/lib-esm/parse/parseXYA.d.ts.map +0 -1
  114. package/lib-esm/parse/parseXYA.js +0 -48
  115. package/lib-esm/parse/parseXYA.js.map +0 -1
  116. package/lib-esm/postProcessing.d.ts +0 -2
  117. package/lib-esm/postProcessing.d.ts.map +0 -1
  118. package/lib-esm/postProcessing.js +0 -87
  119. package/lib-esm/postProcessing.js.map +0 -1
  120. package/lib-esm/postProcessingNMR.d.ts +0 -2
  121. package/lib-esm/postProcessingNMR.d.ts.map +0 -1
  122. package/lib-esm/postProcessingNMR.js +0 -92
  123. package/lib-esm/postProcessingNMR.js.map +0 -1
  124. package/lib-esm/prepareNtuplesDatatable.d.ts +0 -2
  125. package/lib-esm/prepareNtuplesDatatable.d.ts.map +0 -1
  126. package/lib-esm/prepareNtuplesDatatable.js +0 -84
  127. package/lib-esm/prepareNtuplesDatatable.js.map +0 -1
  128. package/lib-esm/prepareSpectrum.d.ts +0 -2
  129. package/lib-esm/prepareSpectrum.d.ts.map +0 -1
  130. package/lib-esm/prepareSpectrum.js +0 -7
  131. package/lib-esm/prepareSpectrum.js.map +0 -1
  132. package/lib-esm/profiling.d.ts +0 -2
  133. package/lib-esm/profiling.d.ts.map +0 -1
  134. package/lib-esm/profiling.js +0 -10
  135. package/lib-esm/profiling.js.map +0 -1
  136. package/lib-esm/simpleChromatogram.d.ts +0 -2
  137. package/lib-esm/simpleChromatogram.d.ts.map +0 -1
  138. package/lib-esm/simpleChromatogram.js +0 -13
  139. package/lib-esm/simpleChromatogram.js.map +0 -1
  140. package/src/2d/add2D.js +0 -11
  141. package/src/2d/convertTo3DZ.js +0 -55
  142. package/src/2d/generateContourLines.js +0 -166
  143. package/src/complexChromatogram.js +0 -49
  144. package/src/convert.js +0 -412
  145. package/src/convertToFloatArray.js +0 -7
  146. package/src/createTree.js +0 -100
  147. package/src/index.js +0 -2
  148. package/src/parse/fastParseXYData.js +0 -175
  149. package/src/parse/parsePeakTable.js +0 -69
  150. package/src/parse/parseXYA.js +0 -50
  151. package/src/postProcessing.js +0 -93
  152. package/src/postProcessingNMR.js +0 -99
  153. package/src/prepareNtuplesDatatable.js +0 -85
  154. package/src/prepareSpectrum.js +0 -4
  155. package/src/profiling.js +0 -9
  156. package/src/simpleChromatogram.js +0 -12
@@ -1,59 +0,0 @@
1
- "use strict";
2
- var __importDefault = (this && this.__importDefault) || function (mod) {
3
- return (mod && mod.__esModule) ? mod : { "default": mod };
4
- };
5
- Object.defineProperty(exports, "__esModule", { value: true });
6
- const ml_array_median_1 = __importDefault(require("ml-array-median"));
7
- function convertTo3DZ(spectra) {
8
- let minZ = spectra[0].data.y[0];
9
- let maxZ = minZ;
10
- let ySize = spectra.length;
11
- let xSize = spectra[0].data.x.length;
12
- let z = new Array(ySize);
13
- for (let i = 0; i < ySize; i++) {
14
- z[i] = spectra[i].data.y;
15
- for (let j = 0; j < xSize; j++) {
16
- let value = z[i][j];
17
- if (value < minZ)
18
- minZ = value;
19
- if (value > maxZ)
20
- maxZ = value;
21
- }
22
- }
23
- const firstX = spectra[0].data.x[0];
24
- const lastX = spectra[0].data.x[spectra[0].data.x.length - 1]; // has to be -2 because it is a 1D array [x,y,x,y,...]
25
- const firstY = spectra[0].pageValue;
26
- const lastY = spectra[ySize - 1].pageValue;
27
- // Because the min / max value are the only information about the matrix if we invert
28
- // min and max we need to invert the array
29
- if (firstX > lastX) {
30
- for (let spectrum of z) {
31
- spectrum.reverse();
32
- }
33
- }
34
- if (firstY > lastY) {
35
- z.reverse();
36
- }
37
- const medians = [];
38
- for (let i = 0; i < z.length; i++) {
39
- const row = Float64Array.from(z[i]);
40
- for (let i = 0; i < row.length; i++) {
41
- if (row[i] < 0)
42
- row[i] = -row[i];
43
- }
44
- medians.push((0, ml_array_median_1.default)(row));
45
- }
46
- const median = (0, ml_array_median_1.default)(medians);
47
- return {
48
- z,
49
- minX: Math.min(firstX, lastX),
50
- maxX: Math.max(firstX, lastX),
51
- minY: Math.min(firstY, lastY),
52
- maxY: Math.max(firstY, lastY),
53
- minZ,
54
- maxZ,
55
- noise: median,
56
- };
57
- }
58
- exports.default = convertTo3DZ;
59
- //# sourceMappingURL=convertTo3DZ.js.map
@@ -1 +0,0 @@
1
- {"version":3,"file":"convertTo3DZ.js","sourceRoot":"","sources":["../../src/2d/convertTo3DZ.js"],"names":[],"mappings":";;;;;AAAA,sEAAwC;AAExC,SAAwB,YAAY,CAAC,OAAO;IAC1C,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAChC,IAAI,IAAI,GAAG,IAAI,CAAC;IAChB,IAAI,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC;IAC3B,IAAI,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,CAAC;IAErC,IAAI,CAAC,GAAG,IAAI,KAAK,CAAC,KAAK,CAAC,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC9B,CAAC,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;QACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAI,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACpB,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;YAC/B,IAAI,KAAK,GAAG,IAAI;gBAAE,IAAI,GAAG,KAAK,CAAC;SAChC;KACF;IAED,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,sDAAsD;IACrH,MAAM,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IACpC,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,SAAS,CAAC;IAE3C,qFAAqF;IACrF,0CAA0C;IAC1C,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,KAAK,IAAI,QAAQ,IAAI,CAAC,EAAE;YACtB,QAAQ,CAAC,OAAO,EAAE,CAAC;SACpB;KACF;IACD,IAAI,MAAM,GAAG,KAAK,EAAE;QAClB,CAAC,CAAC,OAAO,EAAE,CAAC;KACb;IAED,MAAM,OAAO,GAAG,EAAE,CAAC;IACnB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACjC,MAAM,GAAG,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACnC,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC;gBAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;SAClC;QACD,OAAO,CAAC,IAAI,CAAC,IAAA,yBAAS,EAAC,GAAG,CAAC,CAAC,CAAC;KAC9B;IACD,MAAM,MAAM,GAAG,IAAA,yBAAS,EAAC,OAAO,CAAC,CAAC;IAElC,OAAO;QACL,CAAC;QACD,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI,EAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,KAAK,CAAC;QAC7B,IAAI;QACJ,IAAI;QACJ,KAAK,EAAE,MAAM;KACd,CAAC;AACJ,CAAC;AApDD,+BAoDC"}
@@ -1,8 +0,0 @@
1
- export default function generateContourLines(zData: any, options: any): {
2
- minX: any;
3
- maxX: any;
4
- minY: any;
5
- maxY: any;
6
- segments: any[];
7
- };
8
- //# sourceMappingURL=generateContourLines.d.ts.map
@@ -1 +0,0 @@
1
- {"version":3,"file":"generateContourLines.d.ts","sourceRoot":"","sources":["../../src/2d/generateContourLines.js"],"names":[],"mappings":"AAAA;;;;;;EAqKC"}
@@ -1,163 +0,0 @@
1
- "use strict";
2
- Object.defineProperty(exports, "__esModule", { value: true });
3
- function generateContourLines(zData, options) {
4
- let noise = zData.noise;
5
- let z = zData.z;
6
- let povarHeight0, povarHeight1, povarHeight2, povarHeight3;
7
- let isOver0, isOver1, isOver2, isOver3;
8
- let nbSubSpectra = z.length;
9
- let nbPovars = z[0].length;
10
- let pAx, pAy, pBx, pBy;
11
- let x0 = zData.minX;
12
- let xN = zData.maxX;
13
- let dx = (xN - x0) / (nbPovars - 1);
14
- let y0 = zData.minY;
15
- let yN = zData.maxY;
16
- let dy = (yN - y0) / (nbSubSpectra - 1);
17
- let minZ = zData.minZ;
18
- let maxZ = zData.maxZ;
19
- // System.out.prvarln('y0 '+y0+' yN '+yN);
20
- // -------------------------
21
- // Povars attribution
22
- //
23
- // 0----1
24
- // | / |
25
- // | / |
26
- // 2----3
27
- //
28
- // ---------------------d------
29
- let iter = options.nbContourLevels * 2;
30
- let contourLevels = new Array(iter);
31
- let lineZValue;
32
- for (let level = 0; level < iter; level++) {
33
- // multiply by 2 for positif and negatif
34
- let contourLevel = {};
35
- contourLevels[level] = contourLevel;
36
- let side = level % 2;
37
- let factor = (maxZ - options.noiseMultiplier * noise) *
38
- Math.exp((level >> 1) - options.nbContourLevels);
39
- if (side === 0) {
40
- lineZValue = factor + options.noiseMultiplier * noise;
41
- }
42
- else {
43
- lineZValue = 0 - factor - options.noiseMultiplier * noise;
44
- }
45
- let lines = [];
46
- contourLevel.zValue = lineZValue;
47
- contourLevel.lines = lines;
48
- if (lineZValue <= minZ || lineZValue >= maxZ)
49
- continue;
50
- for (let iSubSpectra = 0; iSubSpectra < nbSubSpectra - 1; iSubSpectra++) {
51
- let subSpectra = z[iSubSpectra];
52
- let subSpectraAfter = z[iSubSpectra + 1];
53
- for (let povar = 0; povar < nbPovars - 1; povar++) {
54
- povarHeight0 = subSpectra[povar];
55
- povarHeight1 = subSpectra[povar + 1];
56
- povarHeight2 = subSpectraAfter[povar];
57
- povarHeight3 = subSpectraAfter[povar + 1];
58
- isOver0 = povarHeight0 > lineZValue;
59
- isOver1 = povarHeight1 > lineZValue;
60
- isOver2 = povarHeight2 > lineZValue;
61
- isOver3 = povarHeight3 > lineZValue;
62
- // Example povar0 is over the plane and povar1 and
63
- // povar2 are below, we find the varersections and add
64
- // the segment
65
- if (isOver0 !== isOver1 && isOver0 !== isOver2) {
66
- pAx =
67
- povar + (lineZValue - povarHeight0) / (povarHeight1 - povarHeight0);
68
- pAy = iSubSpectra;
69
- pBx = povar;
70
- pBy =
71
- iSubSpectra +
72
- (lineZValue - povarHeight0) / (povarHeight2 - povarHeight0);
73
- lines.push(pAx * dx + x0);
74
- lines.push(pAy * dy + y0);
75
- lines.push(pBx * dx + x0);
76
- lines.push(pBy * dy + y0);
77
- }
78
- // remove push does not help !!!!
79
- if (isOver3 !== isOver1 && isOver3 !== isOver2) {
80
- pAx = povar + 1;
81
- pAy =
82
- iSubSpectra +
83
- 1 -
84
- (lineZValue - povarHeight3) / (povarHeight1 - povarHeight3);
85
- pBx =
86
- povar +
87
- 1 -
88
- (lineZValue - povarHeight3) / (povarHeight2 - povarHeight3);
89
- pBy = iSubSpectra + 1;
90
- lines.push(pAx * dx + x0);
91
- lines.push(pAy * dy + y0);
92
- lines.push(pBx * dx + x0);
93
- lines.push(pBy * dy + y0);
94
- }
95
- // test around the diagonal
96
- if (isOver1 !== isOver2) {
97
- pAx =
98
- (povar +
99
- 1 -
100
- (lineZValue - povarHeight1) / (povarHeight2 - povarHeight1)) *
101
- dx +
102
- x0;
103
- pAy =
104
- (iSubSpectra +
105
- (lineZValue - povarHeight1) / (povarHeight2 - povarHeight1)) *
106
- dy +
107
- y0;
108
- if (isOver1 !== isOver0) {
109
- pBx =
110
- povar +
111
- 1 -
112
- (lineZValue - povarHeight1) / (povarHeight0 - povarHeight1);
113
- pBy = iSubSpectra;
114
- lines.push(pAx);
115
- lines.push(pAy);
116
- lines.push(pBx * dx + x0);
117
- lines.push(pBy * dy + y0);
118
- }
119
- if (isOver2 !== isOver0) {
120
- pBx = povar;
121
- pBy =
122
- iSubSpectra +
123
- 1 -
124
- (lineZValue - povarHeight2) / (povarHeight0 - povarHeight2);
125
- lines.push(pAx);
126
- lines.push(pAy);
127
- lines.push(pBx * dx + x0);
128
- lines.push(pBy * dy + y0);
129
- }
130
- if (isOver1 !== isOver3) {
131
- pBx = povar + 1;
132
- pBy =
133
- iSubSpectra +
134
- (lineZValue - povarHeight1) / (povarHeight3 - povarHeight1);
135
- lines.push(pAx);
136
- lines.push(pAy);
137
- lines.push(pBx * dx + x0);
138
- lines.push(pBy * dy + y0);
139
- }
140
- if (isOver2 !== isOver3) {
141
- pBx =
142
- povar +
143
- (lineZValue - povarHeight2) / (povarHeight3 - povarHeight2);
144
- pBy = iSubSpectra + 1;
145
- lines.push(pAx);
146
- lines.push(pAy);
147
- lines.push(pBx * dx + x0);
148
- lines.push(pBy * dy + y0);
149
- }
150
- }
151
- }
152
- }
153
- }
154
- return {
155
- minX: zData.minX,
156
- maxX: zData.maxX,
157
- minY: zData.minY,
158
- maxY: zData.maxY,
159
- segments: contourLevels,
160
- };
161
- }
162
- exports.default = generateContourLines;
163
- //# sourceMappingURL=generateContourLines.js.map
@@ -1 +0,0 @@
1
- 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@@ -1,4 +0,0 @@
1
- export function complexChromatogram(result: any): void;
2
- export function isMSField(canonicDataLabel: any): boolean;
3
- export function convertMSFieldToLabel(value: any): any;
4
- //# sourceMappingURL=complexChromatogram.d.ts.map
@@ -1 +0,0 @@
1
- {"version":3,"file":"complexChromatogram.d.ts","sourceRoot":"","sources":["../src/complexChromatogram.js"],"names":[],"mappings":"AAEA,uDAsCC;AAED,0DAEC;AAED,uDAEC"}
@@ -1,49 +0,0 @@
1
- "use strict";
2
- Object.defineProperty(exports, "__esModule", { value: true });
3
- exports.convertMSFieldToLabel = exports.isMSField = exports.complexChromatogram = void 0;
4
- const GC_MS_FIELDS = ['TIC', '.RIC', 'SCANNUMBER'];
5
- function complexChromatogram(result) {
6
- let spectra = result.spectra;
7
- let length = spectra.length;
8
- let chromatogram = {
9
- times: new Array(length),
10
- series: {
11
- ms: {
12
- dimension: 2,
13
- data: new Array(length),
14
- },
15
- },
16
- };
17
- let existingGCMSFields = [];
18
- for (let i = 0; i < GC_MS_FIELDS.length; i++) {
19
- let label = convertMSFieldToLabel(GC_MS_FIELDS[i]);
20
- if (spectra[0][label]) {
21
- existingGCMSFields.push(label);
22
- chromatogram.series[label] = {
23
- dimension: 1,
24
- data: new Array(length),
25
- };
26
- }
27
- }
28
- for (let i = 0; i < length; i++) {
29
- let spectrum = spectra[i];
30
- chromatogram.times[i] = spectrum.pageValue;
31
- for (let j = 0; j < existingGCMSFields.length; j++) {
32
- chromatogram.series[existingGCMSFields[j]].data[i] = Number(spectrum[existingGCMSFields[j]]);
33
- }
34
- if (spectrum.data) {
35
- chromatogram.series.ms.data[i] = [spectrum.data.x, spectrum.data.y];
36
- }
37
- }
38
- result.chromatogram = chromatogram;
39
- }
40
- exports.complexChromatogram = complexChromatogram;
41
- function isMSField(canonicDataLabel) {
42
- return GC_MS_FIELDS.indexOf(canonicDataLabel) !== -1;
43
- }
44
- exports.isMSField = isMSField;
45
- function convertMSFieldToLabel(value) {
46
- return value.toLowerCase().replace(/[^a-z0-9]/g, '');
47
- }
48
- exports.convertMSFieldToLabel = convertMSFieldToLabel;
49
- //# sourceMappingURL=complexChromatogram.js.map
@@ -1 +0,0 @@
1
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@@ -1 +0,0 @@
1
- {"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;GAWG;AAEH;;;;;;;;;;;;;GAaG;AAEH;;;;;;;GAOG;AAEH;;;;;;;GAOG;AACH,+BAJW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAqSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBA1Va,OAAO,MAAM,EAAE,GAAG,CAAC;;;UAcnB,MAAM;UACN,MAAM;UACN,MAAM;UACN,MAAM;UACN,MAAM;UACN,MAAM;YACN,MAAM;;;aAMN,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;;eAWL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}