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.
- package/jcampconverter.cjs +8 -0
- package/{lib/convert.d.ts → jcampconverter.d.ts} +222 -182
- package/jcampconverter.mjs +8 -0
- package/package.json +27 -19
- package/lib/2d/add2D.d.ts +0 -2
- package/lib/2d/add2D.d.ts.map +0 -1
- package/lib/2d/add2D.js +0 -17
- package/lib/2d/add2D.js.map +0 -1
- package/lib/2d/convertTo3DZ.d.ts +0 -11
- package/lib/2d/convertTo3DZ.d.ts.map +0 -1
- package/lib/2d/convertTo3DZ.js +0 -59
- package/lib/2d/convertTo3DZ.js.map +0 -1
- package/lib/2d/generateContourLines.d.ts +0 -8
- package/lib/2d/generateContourLines.d.ts.map +0 -1
- package/lib/2d/generateContourLines.js +0 -163
- package/lib/2d/generateContourLines.js.map +0 -1
- package/lib/complexChromatogram.d.ts +0 -4
- package/lib/complexChromatogram.d.ts.map +0 -1
- package/lib/complexChromatogram.js +0 -49
- package/lib/complexChromatogram.js.map +0 -1
- package/lib/convert.d.ts.map +0 -1
- package/lib/convert.js +0 -412
- package/lib/convert.js.map +0 -1
- package/lib/convertToFloatArray.d.ts +0 -2
- package/lib/convertToFloatArray.d.ts.map +0 -1
- package/lib/convertToFloatArray.js +0 -11
- package/lib/convertToFloatArray.js.map +0 -1
- package/lib/createTree.d.ts +0 -29
- package/lib/createTree.d.ts.map +0 -1
- package/lib/createTree.js +0 -101
- package/lib/createTree.js.map +0 -1
- package/lib/index.d.ts +0 -3
- package/lib/index.d.ts.map +0 -1
- package/lib/index.js +0 -8
- package/lib/index.js.map +0 -1
- package/lib/parse/fastParseXYData.d.ts +0 -2
- package/lib/parse/fastParseXYData.d.ts.map +0 -1
- package/lib/parse/fastParseXYData.js +0 -193
- package/lib/parse/fastParseXYData.js.map +0 -1
- package/lib/parse/parsePeakTable.d.ts +0 -2
- package/lib/parse/parsePeakTable.d.ts.map +0 -1
- package/lib/parse/parsePeakTable.js +0 -67
- package/lib/parse/parsePeakTable.js.map +0 -1
- package/lib/parse/parseXYA.d.ts +0 -2
- package/lib/parse/parseXYA.d.ts.map +0 -1
- package/lib/parse/parseXYA.js +0 -51
- package/lib/parse/parseXYA.js.map +0 -1
- package/lib/postProcessing.d.ts +0 -2
- package/lib/postProcessing.d.ts.map +0 -1
- package/lib/postProcessing.js +0 -93
- package/lib/postProcessing.js.map +0 -1
- package/lib/postProcessingNMR.d.ts +0 -2
- package/lib/postProcessingNMR.d.ts.map +0 -1
- package/lib/postProcessingNMR.js +0 -95
- package/lib/postProcessingNMR.js.map +0 -1
- package/lib/prepareNtuplesDatatable.d.ts +0 -2
- package/lib/prepareNtuplesDatatable.d.ts.map +0 -1
- package/lib/prepareNtuplesDatatable.js +0 -87
- package/lib/prepareNtuplesDatatable.js.map +0 -1
- package/lib/prepareSpectrum.d.ts +0 -2
- package/lib/prepareSpectrum.d.ts.map +0 -1
- package/lib/prepareSpectrum.js +0 -10
- package/lib/prepareSpectrum.js.map +0 -1
- package/lib/profiling.d.ts +0 -2
- package/lib/profiling.d.ts.map +0 -1
- package/lib/profiling.js +0 -13
- package/lib/profiling.js.map +0 -1
- package/lib/simpleChromatogram.d.ts +0 -2
- package/lib/simpleChromatogram.d.ts.map +0 -1
- package/lib/simpleChromatogram.js +0 -16
- package/lib/simpleChromatogram.js.map +0 -1
- package/lib-esm/2d/add2D.d.ts +0 -2
- package/lib-esm/2d/add2D.d.ts.map +0 -1
- package/lib-esm/2d/add2D.js +0 -11
- package/lib-esm/2d/add2D.js.map +0 -1
- package/lib-esm/2d/convertTo3DZ.d.ts +0 -11
- package/lib-esm/2d/convertTo3DZ.d.ts.map +0 -1
- package/lib-esm/2d/convertTo3DZ.js +0 -53
- package/lib-esm/2d/convertTo3DZ.js.map +0 -1
- package/lib-esm/2d/generateContourLines.d.ts +0 -8
- package/lib-esm/2d/generateContourLines.d.ts.map +0 -1
- package/lib-esm/2d/generateContourLines.js +0 -160
- package/lib-esm/2d/generateContourLines.js.map +0 -1
- package/lib-esm/complexChromatogram.d.ts +0 -4
- package/lib-esm/complexChromatogram.d.ts.map +0 -1
- package/lib-esm/complexChromatogram.js +0 -43
- package/lib-esm/complexChromatogram.js.map +0 -1
- package/lib-esm/convert.d.ts +0 -182
- package/lib-esm/convert.d.ts.map +0 -1
- package/lib-esm/convert.js +0 -405
- package/lib-esm/convert.js.map +0 -1
- package/lib-esm/convertToFloatArray.d.ts +0 -2
- package/lib-esm/convertToFloatArray.d.ts.map +0 -1
- package/lib-esm/convertToFloatArray.js +0 -8
- package/lib-esm/convertToFloatArray.js.map +0 -1
- package/lib-esm/createTree.d.ts +0 -29
- package/lib-esm/createTree.d.ts.map +0 -1
- package/lib-esm/createTree.js +0 -97
- package/lib-esm/createTree.js.map +0 -1
- package/lib-esm/index.d.ts +0 -3
- package/lib-esm/index.d.ts.map +0 -1
- package/lib-esm/index.js +0 -3
- package/lib-esm/index.js.map +0 -1
- package/lib-esm/parse/fastParseXYData.d.ts +0 -2
- package/lib-esm/parse/fastParseXYData.d.ts.map +0 -1
- package/lib-esm/parse/fastParseXYData.js +0 -190
- package/lib-esm/parse/fastParseXYData.js.map +0 -1
- package/lib-esm/parse/parsePeakTable.d.ts +0 -2
- package/lib-esm/parse/parsePeakTable.d.ts.map +0 -1
- package/lib-esm/parse/parsePeakTable.js +0 -64
- package/lib-esm/parse/parsePeakTable.js.map +0 -1
- package/lib-esm/parse/parseXYA.d.ts +0 -2
- package/lib-esm/parse/parseXYA.d.ts.map +0 -1
- package/lib-esm/parse/parseXYA.js +0 -48
- package/lib-esm/parse/parseXYA.js.map +0 -1
- package/lib-esm/postProcessing.d.ts +0 -2
- package/lib-esm/postProcessing.d.ts.map +0 -1
- package/lib-esm/postProcessing.js +0 -87
- package/lib-esm/postProcessing.js.map +0 -1
- package/lib-esm/postProcessingNMR.d.ts +0 -2
- package/lib-esm/postProcessingNMR.d.ts.map +0 -1
- package/lib-esm/postProcessingNMR.js +0 -92
- package/lib-esm/postProcessingNMR.js.map +0 -1
- package/lib-esm/prepareNtuplesDatatable.d.ts +0 -2
- package/lib-esm/prepareNtuplesDatatable.d.ts.map +0 -1
- package/lib-esm/prepareNtuplesDatatable.js +0 -84
- package/lib-esm/prepareNtuplesDatatable.js.map +0 -1
- package/lib-esm/prepareSpectrum.d.ts +0 -2
- package/lib-esm/prepareSpectrum.d.ts.map +0 -1
- package/lib-esm/prepareSpectrum.js +0 -7
- package/lib-esm/prepareSpectrum.js.map +0 -1
- package/lib-esm/profiling.d.ts +0 -2
- package/lib-esm/profiling.d.ts.map +0 -1
- package/lib-esm/profiling.js +0 -10
- package/lib-esm/profiling.js.map +0 -1
- package/lib-esm/simpleChromatogram.d.ts +0 -2
- package/lib-esm/simpleChromatogram.d.ts.map +0 -1
- package/lib-esm/simpleChromatogram.js +0 -13
- package/lib-esm/simpleChromatogram.js.map +0 -1
- package/src/2d/add2D.js +0 -11
- package/src/2d/convertTo3DZ.js +0 -55
- package/src/2d/generateContourLines.js +0 -166
- package/src/complexChromatogram.js +0 -49
- package/src/convert.js +0 -412
- package/src/convertToFloatArray.js +0 -7
- package/src/createTree.js +0 -100
- package/src/index.js +0 -2
- package/src/parse/fastParseXYData.js +0 -175
- package/src/parse/parsePeakTable.js +0 -69
- package/src/parse/parseXYA.js +0 -50
- package/src/postProcessing.js +0 -93
- package/src/postProcessingNMR.js +0 -99
- package/src/prepareNtuplesDatatable.js +0 -85
- package/src/prepareSpectrum.js +0 -4
- package/src/profiling.js +0 -9
- package/src/simpleChromatogram.js +0 -12
package/lib/2d/convertTo3DZ.js
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"use strict";
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var __importDefault = (this && this.__importDefault) || function (mod) {
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return (mod && mod.__esModule) ? mod : { "default": mod };
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};
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Object.defineProperty(exports, "__esModule", { value: true });
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const ml_array_median_1 = __importDefault(require("ml-array-median"));
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function convertTo3DZ(spectra) {
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let minZ = spectra[0].data.y[0];
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let maxZ = minZ;
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let ySize = spectra.length;
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let xSize = spectra[0].data.x.length;
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let z = new Array(ySize);
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for (let i = 0; i < ySize; i++) {
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z[i] = spectra[i].data.y;
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for (let j = 0; j < xSize; j++) {
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let value = z[i][j];
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if (value < minZ)
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minZ = value;
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if (value > maxZ)
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maxZ = value;
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}
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}
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const firstX = spectra[0].data.x[0];
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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,...]
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const firstY = spectra[0].pageValue;
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const lastY = spectra[ySize - 1].pageValue;
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// Because the min / max value are the only information about the matrix if we invert
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// min and max we need to invert the array
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if (firstX > lastX) {
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for (let spectrum of z) {
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spectrum.reverse();
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}
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}
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if (firstY > lastY) {
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z.reverse();
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}
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const medians = [];
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for (let i = 0; i < z.length; i++) {
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const row = Float64Array.from(z[i]);
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for (let i = 0; i < row.length; i++) {
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if (row[i] < 0)
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row[i] = -row[i];
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}
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medians.push((0, ml_array_median_1.default)(row));
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}
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const median = (0, ml_array_median_1.default)(medians);
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return {
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z,
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minX: Math.min(firstX, lastX),
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maxX: Math.max(firstX, lastX),
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minY: Math.min(firstY, lastY),
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maxY: Math.max(firstY, lastY),
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minZ,
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maxZ,
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noise: median,
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};
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}
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exports.default = convertTo3DZ;
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//# sourceMappingURL=convertTo3DZ.js.map
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{"version":3,"file":"generateContourLines.d.ts","sourceRoot":"","sources":["../../src/2d/generateContourLines.js"],"names":[],"mappings":"AAAA;;;;;;EAqKC"}
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Object.defineProperty(exports, "__esModule", { value: true });
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function generateContourLines(zData, options) {
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let noise = zData.noise;
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let z = zData.z;
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let povarHeight0, povarHeight1, povarHeight2, povarHeight3;
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let isOver0, isOver1, isOver2, isOver3;
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let nbSubSpectra = z.length;
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let nbPovars = z[0].length;
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let pAx, pAy, pBx, pBy;
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let x0 = zData.minX;
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let xN = zData.maxX;
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let dx = (xN - x0) / (nbPovars - 1);
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let y0 = zData.minY;
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let yN = zData.maxY;
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let dy = (yN - y0) / (nbSubSpectra - 1);
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let minZ = zData.minZ;
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let maxZ = zData.maxZ;
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// System.out.prvarln('y0 '+y0+' yN '+yN);
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// -------------------------
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// Povars attribution
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//
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// 0----1
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// | / |
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// | / |
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// 2----3
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//
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// ---------------------d------
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let iter = options.nbContourLevels * 2;
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let contourLevels = new Array(iter);
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let lineZValue;
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let side = level % 2;
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let factor = (maxZ - options.noiseMultiplier * noise) *
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if (side === 0) {
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lineZValue = factor + options.noiseMultiplier * noise;
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}
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else {
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lineZValue = 0 - factor - options.noiseMultiplier * noise;
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}
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let lines = [];
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contourLevel.zValue = lineZValue;
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contourLevel.lines = lines;
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if (lineZValue <= minZ || lineZValue >= maxZ)
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continue;
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for (let iSubSpectra = 0; iSubSpectra < nbSubSpectra - 1; iSubSpectra++) {
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let subSpectra = z[iSubSpectra];
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let subSpectraAfter = z[iSubSpectra + 1];
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for (let povar = 0; povar < nbPovars - 1; povar++) {
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povarHeight0 = subSpectra[povar];
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povarHeight1 = subSpectra[povar + 1];
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povarHeight2 = subSpectraAfter[povar];
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povarHeight3 = subSpectraAfter[povar + 1];
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isOver0 = povarHeight0 > lineZValue;
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isOver1 = povarHeight1 > lineZValue;
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isOver2 = povarHeight2 > lineZValue;
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isOver3 = povarHeight3 > lineZValue;
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-
// 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
|
-
{"version":3,"file":"generateContourLines.js","sourceRoot":"","sources":["../../src/2d/generateContourLines.js"],"names":[],"mappings":";;AAAA,SAAwB,oBAAoB,CAAC,KAAK,EAAE,OAAO;IACzD,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC;IACxB,IAAI,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC;IAChB,IAAI,YAAY,EAAE,YAAY,EAAE,YAAY,EAAE,YAAY,CAAC;IAC3D,IAAI,OAAO,EAAE,OAAO,EAAE,OAAO,EAAE,OAAO,CAAC;IACvC,IAAI,YAAY,GAAG,CAAC,CAAC,MAAM,CAAC;IAC5B,IAAI,QAAQ,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAC3B,IAAI,GAAG,EAAE,GAAG,EAAE,GAAG,EAAE,GAAG,CAAC;IAEvB,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC;IACpB,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC;IACpB,IAAI,EAAE,GAAG,CAAC,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IACpC,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC;IACpB,IAAI,EAAE,GAAG,KAAK,CAAC,IAAI,CAAC;IACpB,IAAI,EAAE,GAAG,CAAC,EAAE,GAAG,EAAE,CAAC,GAAG,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;IACxC,IAAI,IAAI,GAAG,KAAK,CAAC,IAAI,CAAC;IACtB,IAAI,IAAI,GAAG,KAAK,CAAC,IAAI,CAAC;IAEtB,0CAA0C;IAC1C,4BAA4B;IAC5B,qBAAqB;IACrB,EAAE;IACF,SAAS;IACT,SAAS;IACT,SAAS;IACT,SAAS;IACT,EAAE;IACF,+BAA+B;IAE/B,IAAI,IAAI,GAAG,OAAO,CAAC,eAAe,GAAG,CAAC,CAAC;IACvC,IAAI,aAAa,GAAG,IAAI,KAAK,CAAC,IAAI,CAAC,CAAC;IACpC,IAAI,UAAU,CAAC;IACf,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,IAAI,EAAE,KAAK,EAAE,EAAE;QACzC,wCAAwC;QACxC,IAAI,YAAY,GAAG,EAAE,CAAC;QACtB,aAAa,CAAC,KAAK,CAAC,GAAG,YAAY,CAAC;QACpC,IAAI,IAAI,GAAG,KAAK,GAAG,CAAC,CAAC;QACrB,IAAI,MAAM,GACR,CAAC,IAAI,GAAG,OAAO,CAAC,eAAe,GAAG,KAAK,CAAC;YACxC,IAAI,CAAC,GAAG,CAAC,CAAC,KAAK,IAAI,CAAC,CAAC,GAAG,OAAO,CAAC,eAAe,CAAC,CAAC;QACnD,IAAI,IAAI,KAAK,CAAC,EAAE;YACd,UAAU,GAAG,MAAM,GAAG,OAAO,CAAC,eAAe,GAAG,KAAK,CAAC;SACvD;aAAM;YACL,UAAU,GAAG,CAAC,GAAG,MAAM,GAAG,OAAO,CAAC,eAAe,GAAG,KAAK,CAAC;SAC3D;QACD,IAAI,KAAK,GAAG,EAAE,CAAC;QACf,YAAY,CAAC,MAAM,GAAG,UAAU,CAAC;QACjC,YAAY,CAAC,KAAK,GAAG,KAAK,CAAC;QAE3B,IAAI,UAAU,IAAI,IAAI,IAAI,UAAU,IAAI,IAAI;YAAE,SAAS;QAEvD,KAAK,IAAI,WAAW,GAAG,CAAC,EAAE,WAAW,GAAG,YAAY,GAAG,CAAC,EAAE,WAAW,EAAE,EAAE;YACvE,IAAI,UAAU,GAAG,CAAC,CAAC,WAAW,CAAC,CAAC;YAChC,IAAI,eAAe,GAAG,CAAC,CAAC,WAAW,GAAG,CAAC,CAAC,CAAC;YACzC,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,QAAQ,GAAG,CAAC,EAAE,KAAK,EAAE,EAAE;gBACjD,YAAY,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC;gBACjC,YAAY,GAAG,UAAU,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;gBACrC,YAAY,GAAG,eAAe,CAAC,KAAK,CAAC,CAAC;gBACtC,YAAY,GAAG,eAAe,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;gBAE1C,OAAO,GAAG,YAAY,GAAG,UAAU,CAAC;gBACpC,OAAO,GAAG,YAAY,GAAG,UAAU,CAAC;gBACpC,OAAO,GAAG,YAAY,GAAG,UAAU,CAAC;gBACpC,OAAO,GAAG,YAAY,GAAG,UAAU,CAAC;gBAEpC,kDAAkD;gBAClD,sDAAsD;gBACtD,cAAc;gBACd,IAAI,OAAO,KAAK,OAAO,IAAI,OAAO,KAAK,OAAO,EAAE;oBAC9C,GAAG;wBACD,KAAK,GAAG,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;oBACtE,GAAG,GAAG,WAAW,CAAC;oBAClB,GAAG,GAAG,KAAK,CAAC;oBACZ,GAAG;wBACD,WAAW;4BACX,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;oBAC9D,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;iBAC3B;gBACD,iCAAiC;gBACjC,IAAI,OAAO,KAAK,OAAO,IAAI,OAAO,KAAK,OAAO,EAAE;oBAC9C,GAAG,GAAG,KAAK,GAAG,CAAC,CAAC;oBAChB,GAAG;wBACD,WAAW;4BACX,CAAC;4BACD,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;oBAC9D,GAAG;wBACD,KAAK;4BACL,CAAC;4BACD,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;oBAC9D,GAAG,GAAG,WAAW,GAAG,CAAC,CAAC;oBACtB,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;oBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;iBAC3B;gBACD,2BAA2B;gBAC3B,IAAI,OAAO,KAAK,OAAO,EAAE;oBACvB,GAAG;wBACD,CAAC,KAAK;4BACJ,CAAC;4BACD,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;4BAC5D,EAAE;4BACJ,EAAE,CAAC;oBACL,GAAG;wBACD,CAAC,WAAW;4BACV,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;4BAC5D,EAAE;4BACJ,EAAE,CAAC;oBACL,IAAI,OAAO,KAAK,OAAO,EAAE;wBACvB,GAAG;4BACD,KAAK;gCACL,CAAC;gCACD,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;wBAC9D,GAAG,GAAG,WAAW,CAAC;wBAClB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;wBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;qBAC3B;oBACD,IAAI,OAAO,KAAK,OAAO,EAAE;wBACvB,GAAG,GAAG,KAAK,CAAC;wBACZ,GAAG;4BACD,WAAW;gCACX,CAAC;gCACD,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;wBAC9D,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;wBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;qBAC3B;oBACD,IAAI,OAAO,KAAK,OAAO,EAAE;wBACvB,GAAG,GAAG,KAAK,GAAG,CAAC,CAAC;wBAChB,GAAG;4BACD,WAAW;gCACX,CAAC,UAAU,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,GAAG,YAAY,CAAC,CAAC;wBAC9D,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAChB,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;wBAC1B,KAAK,CAAC,IAAI,CAAC,GAAG,GAAG,EAAE,GAAG,EAAE,CAAC,CAAC;qB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|
|
@@ -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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package/lib/convert.d.ts.map
DELETED
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@@ -1 +0,0 @@
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1
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