jcampconverter 8.2.2 → 8.2.3

package/lib-esm/parse/fastParseXYData.js

@@ -0,0 +1,189 @@
+export default function fastParseXYData(spectrum, value) {
+    // TODO need to deal with result
+    //  console.log(value);
+    // we check if deltaX is defined otherwise we calculate it
+    let yFactor = spectrum.yFactor;
+    let deltaX = spectrum.deltaX;
+    spectrum.isXYdata = true;
+    let currentData = { x: [], y: [] };
+    spectrum.data = currentData;
+    let currentX = spectrum.firstX;
+    let currentY = spectrum.firstY;
+    // we skip the first line
+    //
+    let endLine = false;
+    let ascii;
+    let i = 0;
+    for (; i < value.length; i++) {
+        ascii = value.charCodeAt(i);
+        if (ascii === 13 || ascii === 10) {
+            endLine = true;
+        }
+        else {
+            if (endLine)
+                break;
+        }
+    }
+    // we proceed taking the i after the first line
+    let newLine = true;
+    let isDifference = false;
+    let isLastDifference = false;
+    let lastDifference = 0;
+    let isDuplicate = false;
+    let inComment = false;
+    let currentValue = 0; // can be a difference or a duplicate
+    let lastValue = 0; // must be the real last value
+    let isNegative = false;
+    let inValue = false;
+    let skipFirstValue = false;
+    let decimalPosition = 0;
+    for (; i <= value.length; i++) {
+        if (i === value.length)
+            ascii = 13;
+        else
+            ascii = value.charCodeAt(i);
+        if (inComment) {
+            // we should ignore the text if we are after $$
+            if (ascii === 13 || ascii === 10) {
+                newLine = true;
+                inComment = false;
+            }
+        }
+        else {
+            // when is it a new value ?
+            // when it is not a digit, . or comma
+            // it is a number that is either new or we continue
+            if (ascii <= 57 && ascii >= 48) {
+                // a number
+                inValue = true;
+                if (decimalPosition > 0) {
+                    currentValue += (ascii - 48) / Math.pow(10, decimalPosition++);
+                }
+                else {
+                    currentValue *= 10;
+                    currentValue += ascii - 48;
+                }
+            }
+            else if (ascii === 44 || ascii === 46) {
+                // a "," or "."
+                inValue = true;
+                decimalPosition++;
+            }
+            else {
+                if (inValue) {
+                    // need to process the previous value
+                    if (newLine) {
+                        newLine = false; // we don't check the X value
+                        // console.log("NEW LINE",isDifference, lastDifference);
+                        // if new line and lastDifference, the first value is just a check !
+                        // that we don't check ...
+                        if (isLastDifference)
+                            skipFirstValue = true;
+                    }
+                    else {
+                        // need to deal with duplicate and differences
+                        if (skipFirstValue) {
+                            skipFirstValue = false;
+                        }
+                        else {
+                            if (isDifference) {
+                                lastDifference = isNegative ? 0 - currentValue : currentValue;
+                                isLastDifference = true;
+                                isDifference = false;
+                            }
+                            else if (!isDuplicate) {
+                                lastValue = isNegative ? 0 - currentValue : currentValue;
+                            }
+                            let duplicate = isDuplicate ? currentValue - 1 : 1;
+                            for (let j = 0; j < duplicate; j++) {
+                                if (isLastDifference) {
+                                    currentY += lastDifference;
+                                }
+                                else {
+                                    currentY = lastValue;
+                                }
+                                currentData.x.push(currentX);
+                                currentData.y.push(currentY * yFactor);
+                                currentX += deltaX;
+                            }
+                        }
+                    }
+                    isNegative = false;
+                    currentValue = 0;
+                    decimalPosition = 0;
+                    inValue = false;
+                    isDuplicate = false;
+                }
+                // positive SQZ digits @ A B C D E F G H I (ascii 64-73)
+                if (ascii < 74 && ascii > 63) {
+                    inValue = true;
+                    isLastDifference = false;
+                    currentValue = ascii - 64;
+                }
+                else if (ascii > 96 && ascii < 106) {
+                    // negative SQZ digits a b c d e f g h i (ascii 97-105)
+                    inValue = true;
+                    isLastDifference = false;
+                    currentValue = ascii - 96;
+                    isNegative = true;
+                }
+                else if (ascii === 115) {
+                    // DUP digits S T U V W X Y Z s (ascii 83-90, 115)
+                    inValue = true;
+                    isDuplicate = true;
+                    currentValue = 9;
+                }
+                else if (ascii > 82 && ascii < 91) {
+                    inValue = true;
+                    isDuplicate = true;
+                    currentValue = ascii - 82;
+                }
+                else if (ascii > 73 && ascii < 83) {
+                    // positive DIF digits % J K L M N O P Q R (ascii 37, 74-82)
+                    inValue = true;
+                    isDifference = true;
+                    currentValue = ascii - 73;
+                }
+                else if (ascii > 105 && ascii < 115) {
+                    // negative DIF digits j k l m n o p q r (ascii 106-114)
+                    inValue = true;
+                    isDifference = true;
+                    currentValue = ascii - 105;
+                    isNegative = true;
+                }
+                else if (ascii === 36 && value.charCodeAt(i + 1) === 36) {
+                    // $ sign, we need to check the next one
+                    inValue = true;
+                    inComment = true;
+                }
+                else if (ascii === 37) {
+                    // positive DIF digits % J K L M N O P Q R (ascii 37, 74-82)
+                    inValue = true;
+                    isDifference = true;
+                    currentValue = 0;
+                    isNegative = false;
+                }
+                else if (ascii === 45) {
+                    // a "-"
+                    // check if after there is a number, decimal or comma
+                    let ascii2 = value.charCodeAt(i + 1);
+                    if ((ascii2 >= 48 && ascii2 <= 57) ||
+                        ascii2 === 44 ||
+                        ascii2 === 46) {
+                        inValue = true;
+                        if (!newLine)
+                            isLastDifference = false;
+                        isNegative = true;
+                    }
+                }
+                else if (ascii === 13 || ascii === 10) {
+                    newLine = true;
+                    inComment = false;
+                }
+                // and now analyse the details ... space or tabulation
+                // if "+" we just don't care
+            }
+        }
+    }
+}
+//# sourceMappingURL=fastParseXYData.js.map

package/lib-esm/parse/fastParseXYData.js.map

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package/lib-esm/parse/parsePeakTable.d.ts

@@ -0,0 +1,2 @@
+export default function parsePeakTable(spectrum: any, value: any, result: any): void;
+//# sourceMappingURL=parsePeakTable.d.ts.map

package/lib-esm/parse/parsePeakTable.d.ts.map

@@ -0,0 +1 @@
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package/lib-esm/parse/parsePeakTable.js

@@ -0,0 +1,64 @@
+const removeCommentRegExp = /\$\$.*/;
+const peakTableSplitRegExp = /[,\t ]+/;
+export default function parsePeakTable(spectrum, value, result) {
+    spectrum.isPeaktable = true;
+    if (!spectrum.variables || Object.keys(spectrum.variables) === 2) {
+        parseXY(spectrum, value, result);
+    }
+    else {
+        parseXYZ(spectrum, value, result);
+    }
+    // we will add the data in the variables
+    if (spectrum.variables) {
+        for (let key in spectrum.variables) {
+            spectrum.variables[key].data = spectrum.data[key];
+        }
+    }
+}
+function parseXY(spectrum, value, result) {
+    let currentData = { x: [], y: [] };
+    spectrum.data = currentData;
+    // counts for around 20% of the time
+    let lines = value.split(/,? *,?[;\r\n]+ */);
+    for (let i = 1; i < lines.length; i++) {
+        let values = lines[i]
+            .trim()
+            .replace(removeCommentRegExp, '')
+            .split(peakTableSplitRegExp);
+        if (values.length % 2 === 0) {
+            for (let j = 0; j < values.length; j = j + 2) {
+                // takes around 40% of the time to add and parse the 2 values nearly exclusively because of Number
+                currentData.x.push(Number(values[j]) * spectrum.xFactor);
+                currentData.y.push(Number(values[j + 1]) * spectrum.yFactor);
+            }
+        }
+        else {
+            result.logs.push(`Format error: ${values}`);
+        }
+    }
+}
+function parseXYZ(spectrum, value, result) {
+    let currentData = {};
+    let variables = Object.keys(spectrum.variables);
+    let numberOfVariables = variables.length;
+    variables.forEach((variable) => (currentData[variable] = []));
+    spectrum.data = currentData;
+    // counts for around 20% of the time
+    let lines = value.split(/,? *,?[;\r\n]+ */);
+    for (let i = 1; i < lines.length; i++) {
+        let values = lines[i]
+            .trim()
+            .replace(removeCommentRegExp, '')
+            .split(peakTableSplitRegExp);
+        if (values.length % numberOfVariables === 0) {
+            for (let j = 0; j < values.length; j++) {
+                // todo should try to find a xFactor (y, ...)
+                currentData[variables[j % numberOfVariables]].push(Number(values[j]));
+            }
+        }
+        else {
+            result.logs.push(`Format error: ${values}`);
+        }
+    }
+}
+//# sourceMappingURL=parsePeakTable.js.map

package/lib-esm/parse/parsePeakTable.js.map

@@ -0,0 +1 @@
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package/lib-esm/parse/parseXYA.d.ts

@@ -0,0 +1,2 @@
+export default function parseXYA(spectrum: any, value: any): void;
+//# sourceMappingURL=parseXYA.d.ts.map

package/lib-esm/parse/parseXYA.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"parseXYA.d.ts","sourceRoot":"","sources":["../../src/parse/parseXYA.js"],"names":[],"mappings":"AAAA,kEAeC"}

package/lib-esm/parse/parseXYA.js

@@ -0,0 +1,14 @@
+export default function parseXYA(spectrum, value) {
+    let removeSymbolRegExp = /(\(+|\)+|<+|>+|\s+)/g;
+    spectrum.isXYAdata = true;
+    let values;
+    let currentData = { x: [], y: [] };
+    spectrum.data = currentData;
+    let lines = value.split(/,? *,?[;\r\n]+ */);
+    for (let i = 1; i < lines.length; i++) {
+        values = lines[i].trim().replace(removeSymbolRegExp, '').split(',');
+        currentData.x.push(Number(values[0]));
+        currentData.y.push(Number(values[1]));
+    }
+}
+//# sourceMappingURL=parseXYA.js.map

package/lib-esm/parse/parseXYA.js.map

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package/lib-esm/postProcessing.d.ts

@@ -0,0 +1,2 @@
+export default function postProcessing(entriesFlat: any, result: any, options: any): void;
+//# sourceMappingURL=postProcessing.d.ts.map

package/lib-esm/postProcessing.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"postProcessing.d.ts","sourceRoot":"","sources":["../src/postProcessing.js"],"names":[],"mappings":"AAMA,0FAyCC"}

package/lib-esm/postProcessing.js

@@ -0,0 +1,44 @@
+import add2D from './2d/add2D';
+import { complexChromatogram } from './complexChromatogram';
+import postProcessingNMR from './postProcessingNMR';
+import profiling from './profiling';
+import simpleChromatogram from './simpleChromatogram';
+export default function postProcessing(entriesFlat, result, options) {
+    // converting Hz to ppm
+    postProcessingNMR(entriesFlat);
+    for (let entry of entriesFlat) {
+        if (Object.keys(entry.ntuples).length > 0) {
+            let newNtuples = [];
+            let keys = Object.keys(entry.ntuples);
+            for (let i = 0; i < keys.length; i++) {
+                let key = keys[i];
+                let values = entry.ntuples[key];
+                for (let j = 0; j < values.length; j++) {
+                    if (!newNtuples[j])
+                        newNtuples[j] = {};
+                    newNtuples[j][key] = values[j];
+                }
+            }
+            entry.ntuples = newNtuples;
+        }
+        if (entry.twoD && options.wantXY) {
+            add2D(entry, options);
+            profiling(result, 'Finished countour plot calculation', options);
+            if (!options.keepSpectra) {
+                delete entry.spectra;
+            }
+        }
+        // maybe it is a GC (HPLC) / MS. In this case we add a new format
+        if (options.chromatogram) {
+            if (entry.spectra.length > 1) {
+                complexChromatogram(entry);
+            }
+            else {
+                simpleChromatogram(entry);
+            }
+            profiling(result, 'Finished chromatogram calculation', options);
+        }
+        delete entry.tmp;
+    }
+}
+//# sourceMappingURL=postProcessing.js.map

package/lib-esm/postProcessing.js.map

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package/lib-esm/postProcessingNMR.d.ts

@@ -0,0 +1,2 @@
+export default function postProcessingNMR(entriesFlat: any): void;
+//# sourceMappingURL=postProcessingNMR.d.ts.map

package/lib-esm/postProcessingNMR.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"postProcessingNMR.d.ts","sourceRoot":"","sources":["../src/postProcessingNMR.js"],"names":[],"mappings":"AAEA,kEA4FC"}

package/lib-esm/postProcessingNMR.js

@@ -0,0 +1,91 @@
+import { gyromagneticRatio } from 'nmr-processing';
+export default function postProcessingNMR(entriesFlat) {
+    // specific NMR functions
+    for (let entry of entriesFlat) {
+        let observeFrequency = 0;
+        let shiftOffsetVal = 0;
+        for (let spectrum of entry.spectra) {
+            if (entry.ntuples && entry.ntuples.symbol) {
+                if (!observeFrequency && spectrum.observeFrequency) {
+                    observeFrequency = spectrum.observeFrequency;
+                }
+                if (!shiftOffsetVal && spectrum.shiftOffsetVal) {
+                    shiftOffsetVal = spectrum.shiftOffsetVal;
+                }
+            }
+            else {
+                observeFrequency = spectrum.observeFrequency;
+                shiftOffsetVal = spectrum.shiftOffsetVal;
+            }
+            if (observeFrequency) {
+                if (spectrum.xUnits && spectrum.xUnits.toUpperCase().includes('HZ')) {
+                    spectrum.xUnits = 'PPM';
+                    spectrum.xFactor = spectrum.xFactor / observeFrequency;
+                    spectrum.firstX = spectrum.firstX / observeFrequency;
+                    spectrum.lastX = spectrum.lastX / observeFrequency;
+                    spectrum.deltaX = spectrum.deltaX / observeFrequency;
+                    for (let i = 0; i < spectrum.data.x.length; i++) {
+                        spectrum.data.x[i] /= observeFrequency;
+                    }
+                }
+            }
+            if (shiftOffsetVal) {
+                let shift = spectrum.firstX - shiftOffsetVal;
+                spectrum.firstX = spectrum.firstX - shift;
+                spectrum.lastX = spectrum.lastX - shift;
+                for (let i = 0; i < spectrum.data.x.length; i++) {
+                    spectrum.data.x[i] -= shift;
+                }
+            }
+            // we will check if some nucleus are missing ...
+            if (entry.ntuples && entry.ntuples.nucleus && entry.ntuples.symbol) {
+                for (let i = 0; i < entry.ntuples.nucleus.length; i++) {
+                    let symbol = entry.ntuples.symbol[i];
+                    let nucleus = entry.ntuples.nucleus[i];
+                    if (symbol.startsWith('F') && !nucleus) {
+                        if (symbol === 'F1') {
+                            // if F1 is defined we will use F2
+                            if (entry.tmp.$NUC2) {
+                                entry.ntuples.nucleus[i] = entry.tmp.$NUC2;
+                            }
+                            else {
+                                let f2index = entry.ntuples.symbol.indexOf('F2');
+                                if (f2index && entry.ntuples.nucleus[f2index]) {
+                                    entry.ntuples.nucleus[i] = entry.ntuples.nucleus[f2index];
+                                }
+                            }
+                        }
+                        if (symbol === 'F2')
+                            entry.ntuples.nucleus[i] = entry.tmp.$NUC1;
+                    }
+                    if (symbol === 'F2') {
+                        entry.yType = entry.ntuples.nucleus[0];
+                    }
+                }
+            }
+            if (observeFrequency &&
+                entry.ntuples &&
+                entry.ntuples.symbol &&
+                entry.ntuples.nucleus) {
+                let unit = '';
+                let pageSymbolIndex = entry.ntuples.symbol.indexOf(spectrum.pageSymbol);
+                if (entry.ntuples.units && entry.ntuples.units[pageSymbolIndex]) {
+                    unit = entry.ntuples.units[pageSymbolIndex];
+                }
+                if (unit !== 'PPM') {
+                    if (pageSymbolIndex !== 0) {
+                        throw Error('Not sure about this ntuples format');
+                    }
+                    let ratio0 = gyromagneticRatio[entry.ntuples.nucleus[0]];
+                    let ratio1 = gyromagneticRatio[entry.ntuples.nucleus[1]];
+                    if (!ratio0 || !ratio1) {
+                        throw Error('Problem with determination of gyromagnetic ratio');
+                    }
+                    let ratio = (ratio0 / ratio1) * observeFrequency;
+                    spectrum.pageValue /= ratio;
+                }
+            }
+        }
+    }
+}
+//# sourceMappingURL=postProcessingNMR.js.map

package/lib-esm/postProcessingNMR.js.map

@@ -0,0 +1 @@
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package/lib-esm/prepareNtuplesDatatable.d.ts

@@ -0,0 +1,2 @@
+export default function prepareNtuplesDatatable(currentEntry: any, spectrum: any, kind: any): void;
+//# sourceMappingURL=prepareNtuplesDatatable.d.ts.map

package/lib-esm/prepareNtuplesDatatable.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"prepareNtuplesDatatable.d.ts","sourceRoot":"","sources":["../src/prepareNtuplesDatatable.js"],"names":[],"mappings":"AAAA,mGAoFC"}

package/lib-esm/prepareNtuplesDatatable.js

@@ -0,0 +1,84 @@
+export default function prepareNtuplesDatatable(currentEntry, spectrum, kind) {
+    let xIndex = -1;
+    let yIndex = -1;
+    let firstVariable = '';
+    let secondVariable = '';
+    if (kind.indexOf('++') > 0) {
+        firstVariable = kind.replace(/.*\(([a-zA-Z0-9]+)\+\+.*/, '$1');
+        secondVariable = kind.replace(/.*\.\.([a-zA-Z0-9]+).*/, '$1');
+    }
+    else {
+        kind = kind.replace(/[^a-zA-Z]/g, '');
+        firstVariable = kind.charAt(0);
+        secondVariable = kind.charAt(1);
+        spectrum.variables = {};
+        for (let symbol of kind) {
+            let lowerCaseSymbol = symbol.toLowerCase();
+            let index = currentEntry.ntuples.symbol.indexOf(symbol);
+            if (index === -1)
+                throw Error(`Symbol undefined: ${symbol}`);
+            spectrum.variables[lowerCaseSymbol] = {};
+            for (let key in currentEntry.ntuples) {
+                if (currentEntry.ntuples[key][index]) {
+                    spectrum.variables[lowerCaseSymbol][key.replace(/^var/, '')] =
+                        currentEntry.ntuples[key][index];
+                }
+            }
+        }
+    }
+    xIndex = currentEntry.ntuples.symbol.indexOf(firstVariable);
+    yIndex = currentEntry.ntuples.symbol.indexOf(secondVariable);
+    if (xIndex === -1)
+        xIndex = 0;
+    if (yIndex === -1)
+        yIndex = 0;
+    if (currentEntry.ntuples.first) {
+        if (currentEntry.ntuples.first.length > xIndex) {
+            spectrum.firstX = currentEntry.ntuples.first[xIndex];
+        }
+        if (currentEntry.ntuples.first.length > yIndex) {
+            spectrum.firstY = currentEntry.ntuples.first[yIndex];
+        }
+    }
+    if (currentEntry.ntuples.last) {
+        if (currentEntry.ntuples.last.length > xIndex) {
+            spectrum.lastX = currentEntry.ntuples.last[xIndex];
+        }
+        if (currentEntry.ntuples.last.length > yIndex) {
+            spectrum.lastY = currentEntry.ntuples.last[yIndex];
+        }
+    }
+    if (currentEntry.ntuples.vardim &&
+        currentEntry.ntuples.vardim.length > xIndex) {
+        spectrum.nbPoints = currentEntry.ntuples.vardim[xIndex];
+    }
+    if (currentEntry.ntuples.factor) {
+        if (currentEntry.ntuples.factor.length > xIndex) {
+            spectrum.xFactor = currentEntry.ntuples.factor[xIndex];
+        }
+        if (currentEntry.ntuples.factor.length > yIndex) {
+            spectrum.yFactor = currentEntry.ntuples.factor[yIndex];
+        }
+    }
+    if (currentEntry.ntuples.units) {
+        if (currentEntry.ntuples.units.length > xIndex) {
+            if (currentEntry.ntuples.varname &&
+                currentEntry.ntuples.varname[xIndex]) {
+                spectrum.xUnits = `${currentEntry.ntuples.varname[xIndex]} [${currentEntry.ntuples.units[xIndex]}]`;
+            }
+            else {
+                spectrum.xUnits = currentEntry.ntuples.units[xIndex];
+            }
+        }
+        if (currentEntry.ntuples.units.length > yIndex) {
+            if (currentEntry.ntuples.varname &&
+                currentEntry.ntuples.varname[yIndex]) {
+                spectrum.yUnits = `${currentEntry.ntuples.varname[yIndex]} [${currentEntry.ntuples.units[yIndex]}]`;
+            }
+            else {
+                spectrum.yUnits = currentEntry.ntuples.units[yIndex];
+            }
+        }
+    }
+}
+//# sourceMappingURL=prepareNtuplesDatatable.js.map

package/lib-esm/prepareNtuplesDatatable.js.map

@@ -0,0 +1 @@
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package/lib-esm/prepareSpectrum.d.ts

@@ -0,0 +1,2 @@
+export default function prepareSpectrum(spectrum: any): void;
+//# sourceMappingURL=prepareSpectrum.d.ts.map

package/lib-esm/prepareSpectrum.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"prepareSpectrum.d.ts","sourceRoot":"","sources":["../src/prepareSpectrum.js"],"names":[],"mappings":"AAAA,6DAGC"}

package/lib-esm/prepareSpectrum.js

@@ -0,0 +1,7 @@
+export default function prepareSpectrum(spectrum) {
+    if (!spectrum.xFactor)
+        spectrum.xFactor = 1;
+    if (!spectrum.yFactor)
+        spectrum.yFactor = 1;
+}
+//# sourceMappingURL=prepareSpectrum.js.map

package/lib-esm/prepareSpectrum.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"prepareSpectrum.js","sourceRoot":"","sources":["../src/prepareSpectrum.js"],"names":[],"mappings":"AAAA,MAAM,CAAC,OAAO,UAAU,eAAe,CAAC,QAAQ;IAC9C,IAAI,CAAC,QAAQ,CAAC,OAAO;QAAE,QAAQ,CAAC,OAAO,GAAG,CAAC,CAAC;IAC5C,IAAI,CAAC,QAAQ,CAAC,OAAO;QAAE,QAAQ,CAAC,OAAO,GAAG,CAAC,CAAC;AAC9C,CAAC"}

package/lib-esm/profiling.d.ts

@@ -0,0 +1,2 @@
+export default function profiling(result: any, action: any, options: any): void;
+//# sourceMappingURL=profiling.d.ts.map

package/lib-esm/profiling.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"profiling.d.ts","sourceRoot":"","sources":["../src/profiling.js"],"names":[],"mappings":"AAAA,gFAOC"}

package/lib-esm/profiling.js

@@ -0,0 +1,9 @@
+export default function profiling(result, action, options) {
+    if (result.profiling) {
+        result.profiling.push({
+            action,
+            time: Date.now() - options.start,
+        });
+    }
+}
+//# sourceMappingURL=profiling.js.map

package/lib-esm/profiling.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"profiling.js","sourceRoot":"","sources":["../src/profiling.js"],"names":[],"mappings":"AAAA,MAAM,CAAC,OAAO,UAAU,SAAS,CAAC,MAAM,EAAE,MAAM,EAAE,OAAO;IACvD,IAAI,MAAM,CAAC,SAAS,EAAE;QACpB,MAAM,CAAC,SAAS,CAAC,IAAI,CAAC;YACpB,MAAM;YACN,IAAI,EAAE,IAAI,CAAC,GAAG,EAAE,GAAG,OAAO,CAAC,KAAK;SACjC,CAAC,CAAC;KACJ;AACH,CAAC"}

package/lib-esm/simpleChromatogram.d.ts

@@ -0,0 +1,2 @@
+export default function simpleChromatogram(result: any): void;
+//# sourceMappingURL=simpleChromatogram.d.ts.map

package/lib-esm/simpleChromatogram.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"simpleChromatogram.d.ts","sourceRoot":"","sources":["../src/simpleChromatogram.js"],"names":[],"mappings":"AAAA,8DAWC"}

package/lib-esm/simpleChromatogram.js

@@ -0,0 +1,13 @@
+export default function simpleChromatogram(result) {
+    let data = result.spectra[0].data;
+    result.chromatogram = {
+        times: data.x.slice(),
+        series: {
+            intensity: {
+                dimension: 1,
+                data: data.y.slice(),
+            },
+        },
+    };
+}
+//# sourceMappingURL=simpleChromatogram.js.map

package/lib-esm/simpleChromatogram.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"simpleChromatogram.js","sourceRoot":"","sources":["../src/simpleChromatogram.js"],"names":[],"mappings":"AAAA,MAAM,CAAC,OAAO,UAAU,kBAAkB,CAAC,MAAM;IAC/C,IAAI,IAAI,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;IAClC,MAAM,CAAC,YAAY,GAAG;QACpB,KAAK,EAAE,IAAI,CAAC,CAAC,CAAC,KAAK,EAAE;QACrB,MAAM,EAAE;YACN,SAAS,EAAE;gBACT,SAAS,EAAE,CAAC;gBACZ,IAAI,EAAE,IAAI,CAAC,CAAC,CAAC,KAAK,EAAE;aACrB;SACF;KACF,CAAC;AACJ,CAAC"}