jcampconverter - npm Package Compare versions

Comparing version 3.0.4 to 4.0.0

package.json

 {
   "name": "jcampconverter",
-  "version": "3.0.4",
+  "version": "4.0.0",
   "description": "Parse and convert JCAMP data",
@@ -40,8 +40,10 @@ "main": "./src/index.js",
     "cheminfo-tools": "^1.23.3",
-    "eslint": "^5.16.0",
-    "eslint-config-cheminfo": "^1.20.1",
-    "eslint-plugin-import": "^2.18.0",
-    "eslint-plugin-jest": "^22.7.1",
-    "jest": "^24.8.0"
+    "eslint": "^6.6.0",
+    "eslint-config-cheminfo": "^2.0.4",
+    "eslint-plugin-import": "^2.18.2",
+    "eslint-plugin-jest": "^23.0.4",
+    "eslint-plugin-prettier": "^3.1.1",
+    "jest": "^24.9.0",
+    "prettier": "^1.19.1"
   }
 }

README.md

@@ -40,3 +40,5 @@ # JCAMP converter
 * chromatogram - use the new GC/MS data format output (default: false)
+* canonicDataLabels - canonize data labels (uppercase) (default: true).
 
+
 2D NMR options:
@@ -43,0 +45,0 @@ * noContour - if true, the contour levels will not be generated. Instead the raw data will be available in `result.minMax.z` (default: false)

src/index.js

@@ -9,3 +9,3 @@ 'use strict';
   function convertToFloatArray(stringArray) {
-    var floatArray = [];
+    let floatArray = [];
     for (let i = 0; i < stringArray.length; i++) {
@@ -21,2 +21,3 @@ floatArray.push(parseFloat(stringArray[i]));
     keepRecordsRegExp: /^$/,
+    canonicDataLabels: true,
     xy: false,
@@ -29,3 +30,3 @@ withoutXY: false,
     noiseMultiplier: 5,
-    profiling: false
+    profiling: false,
   };
@@ -36,17 +37,17 @@
 
-    var wantXY = !options.withoutXY;
+    let wantXY = !options.withoutXY;
 
-    var start = Date.now();
+    let start = Date.now();
 
-    var ntuples = {};
-    var ldr, dataLabel, dataValue, ldrs;
-    var position, endLine, infos;
+    let ntuples = {};
+    let ldr, dataValue, ldrs;
+    let position, endLine, infos;
 
-    var result = {};
+    let result = {};
     result.profiling = options.profiling ? [] : false;
     result.logs = [];
-    var spectra = [];
+    let spectra = [];
     result.spectra = spectra;
     result.info = {};
-    var spectrum = new Spectrum();
+    let spectrum = new Spectrum();
 
@@ -60,3 +61,3 @@ if (!(typeof jcamp === 'string')) {
         action: 'Before split to LDRS',
-        time: Date.now() - start
+        time: Date.now() - start,
       });
@@ -70,3 +71,3 @@ }
         action: 'Split to LDRS',
-        time: Date.now() - start
+        time: Date.now() - start,
       });
@@ -78,2 +79,3 @@ }
     for (let i = 0; i < ldrs.length; i++) {
+      let dataLabel;
       ldr = ldrs[i];
@@ -89,10 +91,10 @@ // This is a new LDR
       }
-      dataLabel = dataLabel.replace(/[_ -]/g, '').toUpperCase();
+      let canonicDataLabel = dataLabel.replace(/[_ -]/g, '').toUpperCase();
 
-      if (dataLabel === 'DATATABLE') {
+      if (canonicDataLabel === 'DATATABLE') {
         endLine = dataValue.indexOf('\n');
         if (endLine === -1) endLine = dataValue.indexOf('\r');
         if (endLine > 0) {
-          var xIndex = -1;
-          var yIndex = -1;
+          let xIndex = -1;
+          let yIndex = -1;
           // ##DATA TABLE= (X++(I..I)), XYDATA
@@ -103,9 +105,9 @@ // We need to find the variables
           if (infos[0].indexOf('++') > 0) {
-            var firstVariable = infos[0].replace(
+            let firstVariable = infos[0].replace(
               /.*\(([a-zA-Z0-9]+)\+\+.*/,
-              '$1'
+              '$1',
             );
-            var secondVariable = infos[0].replace(
+            let secondVariable = infos[0].replace(
               /.*\.\.([a-zA-Z0-9]+).*/,
-              '$1'
+              '$1',
             );
@@ -156,3 +158,3 @@ xIndex = ntuples.symbol.indexOf(firstVariable);
           if (infos[1] && infos[1].indexOf('PEAKS') > -1) {
-            dataLabel = 'PEAKTABLE';
+            canonicDataLabel = 'PEAKTABLE';
           } else if (
@@ -162,3 +164,3 @@ infos[1] &&
           ) {
-            dataLabel = 'XYDATA';
+            canonicDataLabel = 'XYDATA';
             spectrum.deltaX =
@@ -170,3 +172,3 @@ (spectrum.lastX - spectrum.firstX) / (spectrum.nbPoints - 1);
 
-      if (dataLabel === 'XYDATA') {
+      if (canonicDataLabel === 'XYDATA') {
         if (wantXY) {
@@ -189,3 +191,3 @@ prepareSpectrum(result, spectrum);
         continue;
-      } else if (dataLabel === 'PEAKTABLE') {
+      } else if (canonicDataLabel === 'PEAKTABLE') {
         if (wantXY) {
@@ -199,3 +201,3 @@ prepareSpectrum(result, spectrum);
       }
-      if (dataLabel === 'PEAKASSIGNMENTS') {
+      if (canonicDataLabel === 'PEAKASSIGNMENTS') {
         if (wantXY) {
@@ -212,5 +214,5 @@ if (dataValue.match(/.*(XYA).*/)) {
 
-      if (dataLabel === 'TITLE') {
+      if (canonicDataLabel === 'TITLE') {
         spectrum.title = dataValue;
-      } else if (dataLabel === 'DATATYPE') {
+      } else if (canonicDataLabel === 'DATATYPE') {
         spectrum.dataType = dataValue;
@@ -220,47 +222,50 @@ if (dataValue.indexOf('nD') > -1) {
         }
-      } else if (dataLabel === 'NTUPLES') {
+      } else if (canonicDataLabel === 'NTUPLES') {
         if (dataValue.indexOf('nD') > -1) {
           result.twoD = true;
         }
-      } else if (dataLabel === 'XUNITS') {
+      } else if (canonicDataLabel === 'XUNITS') {
         spectrum.xUnit = dataValue;
-      } else if (dataLabel === 'YUNITS') {
+      } else if (canonicDataLabel === 'YUNITS') {
         spectrum.yUnit = dataValue;
-      } else if (dataLabel === 'FIRSTX') {
+      } else if (canonicDataLabel === 'FIRSTX') {
         spectrum.firstX = parseFloat(dataValue);
-      } else if (dataLabel === 'LASTX') {
+      } else if (canonicDataLabel === 'LASTX') {
         spectrum.lastX = parseFloat(dataValue);
-      } else if (dataLabel === 'FIRSTY') {
+      } else if (canonicDataLabel === 'FIRSTY') {
         spectrum.firstY = parseFloat(dataValue);
-      } else if (dataLabel === 'LASTY') {
+      } else if (canonicDataLabel === 'LASTY') {
         spectrum.lastY = parseFloat(dataValue);
-      } else if (dataLabel === 'NPOINTS') {
+      } else if (canonicDataLabel === 'NPOINTS') {
         spectrum.nbPoints = parseFloat(dataValue);
-      } else if (dataLabel === 'XFACTOR') {
+      } else if (canonicDataLabel === 'XFACTOR') {
         spectrum.xFactor = parseFloat(dataValue);
-      } else if (dataLabel === 'YFACTOR') {
+      } else if (canonicDataLabel === 'YFACTOR') {
         spectrum.yFactor = parseFloat(dataValue);
-      } else if (dataLabel === 'MAXX') {
+      } else if (canonicDataLabel === 'MAXX') {
         spectrum.maxX = parseFloat(dataValue);
-      } else if (dataLabel === 'MINX') {
+      } else if (canonicDataLabel === 'MINX') {
         spectrum.minX = parseFloat(dataValue);
-      } else if (dataLabel === 'MAXY') {
+      } else if (canonicDataLabel === 'MAXY') {
         spectrum.maxY = parseFloat(dataValue);
-      } else if (dataLabel === 'MINY') {
+      } else if (canonicDataLabel === 'MINY') {
         spectrum.minY = parseFloat(dataValue);
-      } else if (dataLabel === 'DELTAX') {
+      } else if (canonicDataLabel === 'DELTAX') {
         spectrum.deltaX = parseFloat(dataValue);
-      } else if (dataLabel === '.OBSERVEFREQUENCY' || dataLabel === '$SFO1') {
+      } else if (
+        canonicDataLabel === '.OBSERVEFREQUENCY' ||
+        canonicDataLabel === '$SFO1'
+      ) {
         if (!spectrum.observeFrequency) {
           spectrum.observeFrequency = parseFloat(dataValue);
         }
-      } else if (dataLabel === '.OBSERVENUCLEUS') {
+      } else if (canonicDataLabel === '.OBSERVENUCLEUS') {
         if (!spectrum.xType) {
           result.xType = dataValue.replace(/[^a-zA-Z0-9]/g, '');
         }
-      } else if (dataLabel === '$SFO2') {
+      } else if (canonicDataLabel === '$SFO2') {
         if (!result.indirectFrequency) {
           result.indirectFrequency = parseFloat(dataValue);
         }
-      } else if (dataLabel === '$OFFSET') {
+      } else if (canonicDataLabel === '$OFFSET') {
         // OFFSET for Bruker spectra
@@ -271,41 +276,41 @@ result.shiftOffsetNum = 0;
         }
-      } else if (dataLabel === '$REFERENCEPOINT') {
+      } else if (canonicDataLabel === '$REFERENCEPOINT') {
         // OFFSET for Varian spectra
         // if we activate this part it does not work for ACD specmanager
-        //         } else if (dataLabel=='.SHIFTREFERENCE') {   // OFFSET FOR Bruker Spectra
+        //         } else if (canonicDataLabel=='.SHIFTREFERENCE') {   // OFFSET FOR Bruker Spectra
         //                 var parts = dataValue.split(/ *, */);
         //                 result.shiftOffsetNum = parseInt(parts[2].trim());
         //                 spectrum.shiftOffsetVal = parseFloat(parts[3].trim());
-      } else if (dataLabel === 'VARNAME') {
+      } else if (canonicDataLabel === 'VARNAME') {
         ntuples.varname = dataValue.split(ntuplesSeparator);
-      } else if (dataLabel === 'SYMBOL') {
+      } else if (canonicDataLabel === 'SYMBOL') {
         ntuples.symbol = dataValue.split(ntuplesSeparator);
-      } else if (dataLabel === 'VARTYPE') {
+      } else if (canonicDataLabel === 'VARTYPE') {
         ntuples.vartype = dataValue.split(ntuplesSeparator);
-      } else if (dataLabel === 'VARFORM') {
+      } else if (canonicDataLabel === 'VARFORM') {
         ntuples.varform = dataValue.split(ntuplesSeparator);
-      } else if (dataLabel === 'VARDIM') {
+      } else if (canonicDataLabel === 'VARDIM') {
         ntuples.vardim = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === 'UNITS') {
+      } else if (canonicDataLabel === 'UNITS') {
         ntuples.units = dataValue.split(ntuplesSeparator);
-      } else if (dataLabel === 'FACTOR') {
+      } else if (canonicDataLabel === 'FACTOR') {
         ntuples.factor = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === 'FIRST') {
+      } else if (canonicDataLabel === 'FIRST') {
         ntuples.first = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === 'LAST') {
+      } else if (canonicDataLabel === 'LAST') {
         ntuples.last = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === 'MIN') {
+      } else if (canonicDataLabel === 'MIN') {
         ntuples.min = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === 'MAX') {
+      } else if (canonicDataLabel === 'MAX') {
         ntuples.max = convertToFloatArray(dataValue.split(ntuplesSeparator));
-      } else if (dataLabel === '.NUCLEUS') {
+      } else if (canonicDataLabel === '.NUCLEUS') {
         if (result.twoD) {
           result.yType = dataValue.split(ntuplesSeparator)[0];
         }
-      } else if (dataLabel === 'PAGE') {
+      } else if (canonicDataLabel === 'PAGE') {
         spectrum.page = dataValue.trim();
         spectrum.pageValue = parseFloat(dataValue.replace(/^.*=/, ''));
         spectrum.pageSymbol = spectrum.page.replace(/[=].*/, '');
-        var pageSymbolIndex = ntuples.symbol.indexOf(spectrum.pageSymbol);
-        var unit = '';
+        let pageSymbolIndex = ntuples.symbol.indexOf(spectrum.pageSymbol);
+        let unit = '';
         if (ntuples.units && ntuples.units[pageSymbolIndex]) {
@@ -317,17 +322,18 @@ unit = ntuples.units[pageSymbolIndex];
         }
-      } else if (dataLabel === 'RETENTIONTIME') {
+      } else if (canonicDataLabel === 'RETENTIONTIME') {
         spectrum.pageValue = parseFloat(dataValue);
-      } else if (isMSField(dataLabel)) {
-        spectrum[convertMSFieldToLabel(dataLabel)] = dataValue;
-      } else if (dataLabel === 'SAMPLEDESCRIPTION') {
+      } else if (isMSField(canonicDataLabel)) {
+        spectrum[convertMSFieldToLabel(canonicDataLabel)] = dataValue;
+      } else if (canonicDataLabel === 'SAMPLEDESCRIPTION') {
         spectrum.sampleDescription = dataValue;
       }
-      if (dataLabel.match(options.keepRecordsRegExp)) {
-        if (result.info[dataLabel]) {
-          if (!Array.isArray(result.info[dataLabel])) {
-            result.info[dataLabel] = [result.info[dataLabel]];
+      if (canonicDataLabel.match(options.keepRecordsRegExp)) {
+        let label = options.canonicDataLabels ? canonicDataLabel : dataLabel;
+        if (result.info[label]) {
+          if (!Array.isArray(result.info[label])) {
+            result.info[label] = [result.info[label]];
           }
-          result.info[dataLabel].push(dataValue.trim());
+          result.info[label].push(dataValue.trim());
         } else {
-          result.info[dataLabel] = dataValue.trim();
+          result.info[label] = dataValue.trim();
         }
@@ -340,3 +346,3 @@ }
         action: 'Finished parsing',
-        time: Date.now() - start
+        time: Date.now() - start,
       });
@@ -346,7 +352,7 @@ }
     if (Object.keys(ntuples).length > 0) {
-      var newNtuples = [];
-      var keys = Object.keys(ntuples);
+      let newNtuples = [];
+      let keys = Object.keys(ntuples);
       for (let i = 0; i < keys.length; i++) {
-        var key = keys[i];
-        var values = ntuples[key];
+        let key = keys[i];
+        let values = ntuples[key];
         for (let j = 0; j < values.length; j++) {
@@ -365,3 +371,3 @@ if (!newNtuples[j]) newNtuples[j] = {};
           action: 'Finished countour plot calculation',
-          time: Date.now() - start
+          time: Date.now() - start,
         });
@@ -385,8 +391,8 @@ }
             for (let j = 0; j < spectrum.data.length; j++) {
-              var data = spectrum.data[j];
-              var newData = {
+              let data = spectrum.data[j];
+              let newData = {
                 x: new Array(data.length / 2),
-                y: new Array(data.length / 2)
+                y: new Array(data.length / 2),
               };
-              for (var k = 0; k < data.length; k = k + 2) {
+              for (let k = 0; k < data.length; k = k + 2) {
                 newData.x[k / 2] = data[k];
@@ -412,3 +418,3 @@ newData.y[k / 2] = data[k + 1];
           action: 'Finished chromatogram calculation',
-          time: Date.now() - start
+          time: Date.now() - start,
         });
@@ -421,3 +427,3 @@ }
         action: 'Total time',
-        time: Date.now() - start
+        time: Date.now() - start,
       });
@@ -433,10 +439,10 @@ }
 
-  function isMSField(dataLabel) {
-    return GC_MS_FIELDS.indexOf(dataLabel) !== -1;
+  function isMSField(canonicDataLabel) {
+    return GC_MS_FIELDS.indexOf(canonicDataLabel) !== -1;
   }
 
   function complexChromatogram(result) {
-    var spectra = result.spectra;
-    var length = spectra.length;
-    var chromatogram = {
+    let spectra = result.spectra;
+    let length = spectra.length;
+    let chromatogram = {
       times: new Array(length),
@@ -446,10 +452,10 @@ series: {
           dimension: 2,
-          data: new Array(length)
-        }
-      }
+          data: new Array(length),
+        },
+      },
     };
 
-    var existingGCMSFields = [];
+    let existingGCMSFields = [];
     for (let i = 0; i < GC_MS_FIELDS.length; i++) {
-      var label = convertMSFieldToLabel(GC_MS_FIELDS[i]);
+      let label = convertMSFieldToLabel(GC_MS_FIELDS[i]);
       if (spectra[0][label]) {
@@ -459,3 +465,3 @@ existingGCMSFields.push(label);
           dimension: 1,
-          data: new Array(length)
+          data: new Array(length),
         };
@@ -466,7 +472,7 @@ }
     for (let i = 0; i < length; i++) {
-      var spectrum = spectra[i];
+      let spectrum = spectra[i];
       chromatogram.times[i] = spectrum.pageValue;
       for (let j = 0; j < existingGCMSFields.length; j++) {
         chromatogram.series[existingGCMSFields[j]].data[i] = parseFloat(
-          spectrum[existingGCMSFields[j]]
+          spectrum[existingGCMSFields[j]],
         );
@@ -477,3 +483,3 @@ }
           spectrum.data[0].x,
-          spectrum.data[0].y
+          spectrum.data[0].y,
         ];
@@ -486,3 +492,3 @@ }
   function simpleChromatogram(result) {
-    var data = result.spectra[0].data[0];
+    let data = result.spectra[0].data[0];
     result.chromatogram = {
@@ -493,5 +499,5 @@ times: data.x.slice(),
           dimension: 1,
-          data: data.y.slice()
-        }
-      }
+          data: data.y.slice(),
+        },
+      },
     };
@@ -513,3 +519,3 @@ }
     if (spectrum.shiftOffsetVal) {
-      var shift = spectrum.firstX - spectrum.shiftOffsetVal;
+      let shift = spectrum.firstX - spectrum.shiftOffsetVal;
       spectrum.firstX = spectrum.firstX - shift;
@@ -522,3 +528,3 @@ spectrum.lastX = spectrum.lastX - shift;
     data = data.sort(compareNumbers);
-    var l = data.length;
+    let l = data.length;
     return data[Math.floor(l / 2)];
@@ -532,12 +538,12 @@ }
   function convertTo3DZ(spectra) {
-    var minZ = spectra[0].data[0][0];
-    var maxZ = minZ;
-    var ySize = spectra.length;
-    var xSize = spectra[0].data[0].length / 2;
-    var z = new Array(ySize);
+    let minZ = spectra[0].data[0][0];
+    let maxZ = minZ;
+    let ySize = spectra.length;
+    let xSize = spectra[0].data[0].length / 2;
+    let z = new Array(ySize);
     for (let i = 0; i < ySize; i++) {
       z[i] = new Array(xSize);
-      var xVector = spectra[i].data[0];
+      let xVector = spectra[i].data[0];
       for (let j = 0; j < xSize; j++) {
-        var value = xVector[j * 2 + 1];
+        let value = xVector[j * 2 + 1];
         z[i][j] = value;
@@ -573,3 +579,3 @@ if (value < minZ) minZ = value;
       maxZ: maxZ,
-      noise: getMedian(z[0].map(Math.abs))
+      noise: getMedian(z[0].map(Math.abs)),
     };
@@ -579,3 +585,3 @@ }
   function add2D(result, options) {
-    var zData = convertTo3DZ(result.spectra);
+    let zData = convertTo3DZ(result.spectra);
     if (!options.noContour) {
@@ -589,18 +595,18 @@ result.contourLines = generateContourLines(zData, options);
   function generateContourLines(zData, options) {
-    var noise = zData.noise;
-    var z = zData.z;
-    var povarHeight0, povarHeight1, povarHeight2, povarHeight3;
-    var isOver0, isOver1, isOver2, isOver3;
-    var nbSubSpectra = z.length;
-    var nbPovars = z[0].length;
-    var pAx, pAy, pBx, pBy;
+    let noise = zData.noise;
+    let z = zData.z;
+    let povarHeight0, povarHeight1, povarHeight2, povarHeight3;
+    let isOver0, isOver1, isOver2, isOver3;
+    let nbSubSpectra = z.length;
+    let nbPovars = z[0].length;
+    let pAx, pAy, pBx, pBy;
 
-    var x0 = zData.minX;
-    var xN = zData.maxX;
-    var dx = (xN - x0) / (nbPovars - 1);
-    var y0 = zData.minY;
-    var yN = zData.maxY;
-    var dy = (yN - y0) / (nbSubSpectra - 1);
-    var minZ = zData.minZ;
-    var maxZ = zData.maxZ;
+    let x0 = zData.minX;
+    let xN = zData.maxX;
+    let dx = (xN - x0) / (nbPovars - 1);
+    let y0 = zData.minY;
+    let yN = zData.maxY;
+    let dy = (yN - y0) / (nbSubSpectra - 1);
+    let minZ = zData.minZ;
+    let maxZ = zData.maxZ;
 
@@ -618,11 +624,11 @@ // System.out.prvarln('y0 '+y0+' yN '+yN);
 
-    var iter = options.nbContourLevels * 2;
-    var contourLevels = new Array(iter);
-    var lineZValue;
-    for (var level = 0; level < iter; level++) {
+    let iter = options.nbContourLevels * 2;
+    let contourLevels = new Array(iter);
+    let lineZValue;
+    for (let level = 0; level < iter; level++) {
       // multiply by 2 for positif and negatif
-      var contourLevel = {};
+      let contourLevel = {};
       contourLevels[level] = contourLevel;
-      var side = level % 2;
-      var factor =
+      let side = level % 2;
+      let factor =
         (maxZ - options.noiseMultiplier * noise) *
@@ -635,3 +641,3 @@ Math.exp((level >> 1) - options.nbContourLevels);
       }
-      var lines = [];
+      let lines = [];
       contourLevel.zValue = lineZValue;
@@ -642,6 +648,6 @@ contourLevel.lines = lines;
 
-      for (var iSubSpectra = 0; iSubSpectra < nbSubSpectra - 1; iSubSpectra++) {
-        var subSpectra = z[iSubSpectra];
-        var subSpectraAfter = z[iSubSpectra + 1];
-        for (var povar = 0; povar < nbPovars - 1; povar++) {
+      for (let iSubSpectra = 0; iSubSpectra < nbSubSpectra - 1; iSubSpectra++) {
+        let subSpectra = z[iSubSpectra];
+        let subSpectraAfter = z[iSubSpectra + 1];
+        for (let povar = 0; povar < nbPovars - 1; povar++) {
           povarHeight0 = subSpectra[povar];
@@ -756,3 +762,3 @@ povarHeight1 = subSpectra[povar + 1];
       maxY: zData.maxY,
-      segments: contourLevels
+      segments: contourLevels,
     };
@@ -766,17 +772,17 @@ }
 
-    var yFactor = spectrum.yFactor;
-    var deltaX = spectrum.deltaX;
+    let yFactor = spectrum.yFactor;
+    let deltaX = spectrum.deltaX;
 
     spectrum.isXYdata = true;
     // TODO to be improved using 2 array {x:[], y:[]}
-    var currentData = [];
+    let currentData = [];
     spectrum.data = [currentData];
 
-    var currentX = spectrum.firstX;
-    var currentY = spectrum.firstY;
+    let currentX = spectrum.firstX;
+    let currentY = spectrum.firstY;
 
     // we skip the first line
     //
-    var endLine = false;
-    var ascii;
+    let endLine = false;
+    let ascii;
     let i = 0;
@@ -793,14 +799,14 @@ for (; i < value.length; i++) {
     // we proceed taking the i after the first line
-    var newLine = true;
-    var isDifference = false;
-    var isLastDifference = false;
-    var lastDifference = 0;
-    var isDuplicate = false;
-    var inComment = false;
-    var currentValue = 0; // can be a difference or a duplicate
-    var lastValue = 0; // must be the real last value
-    var isNegative = false;
-    var inValue = false;
-    var skipFirstValue = false;
-    var decimalPosition = 0;
+    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++) {
@@ -853,4 +859,4 @@ if (i === value.length) ascii = 13;
                 }
-                var duplicate = isDuplicate ? currentValue - 1 : 1;
-                for (var j = 0; j < duplicate; j++) {
+                let duplicate = isDuplicate ? currentValue - 1 : 1;
+                for (let j = 0; j < duplicate; j++) {
                   if (isLastDifference) {
@@ -918,3 +924,3 @@ currentY += lastDifference;
             // check if after there is a number, decimal or comma
-            var ascii2 = value.charCodeAt(i + 1);
+            let ascii2 = value.charCodeAt(i + 1);
             if (
@@ -941,10 +947,10 @@ (ascii2 >= 48 && ascii2 <= 57) ||
   function parseXYA(spectrum, value) {
-    var removeSymbolRegExp = /(\(+|\)+|<+|>+|\s+)/g;
+    let removeSymbolRegExp = /(\(+|\)+|<+|>+|\s+)/g;
 
     spectrum.isXYAdata = true;
-    var values;
-    var currentData = [];
+    let values;
+    let currentData = [];
     spectrum.data = [currentData];
 
-    var lines = value.split(/,? *,?[;\r\n]+ */);
+    let lines = value.split(/,? *,?[;\r\n]+ */);
 
@@ -962,12 +968,12 @@ for (let i = 1; i < lines.length; i++) {
   function parsePeakTable(spectrum, value, result) {
-    var removeCommentRegExp = /\$\$.*/;
-    var peakTableSplitRegExp = /[,\t ]+/;
+    let removeCommentRegExp = /\$\$.*/;
+    let peakTableSplitRegExp = /[,\t ]+/;
 
     spectrum.isPeaktable = true;
-    var values;
-    var currentData = [];
+    let values;
+    let currentData = [];
     spectrum.data = [currentData];
 
     // counts for around 20% of the time
-    var lines = value.split(/,? *,?[;\r\n]+ */);
+    let lines = value.split(/,? *,?[;\r\n]+ */);
 
@@ -994,3 +1000,3 @@ for (let i = 1; i < lines.length; i++) {
 
-var convert = getConverter();
+let convert = getConverter();
 
@@ -1009,4 +1015,4 @@ function JcampConverter(input, options, useWorker) {
 
-var stamps = {};
-var worker;
+let stamps = {};
+let worker;
 
@@ -1017,4 +1023,4 @@ function postToWorker(input, options) {
   }
-  return new Promise(function (resolve) {
-    var stamp = `${Date.now()}${Math.random()}`;
+  return new Promise(function(resolve) {
+    let stamp = `${Date.now()}${Math.random()}`;
     stamps[stamp] = resolve;
@@ -1025,4 +1031,4 @@ worker.postMessage(
         input: input,
-        options: options
-      })
+        options: options,
+      }),
     );
@@ -1033,13 +1039,15 @@ });
 function createWorker() {
-  var workerURL = URL.createObjectURL(
+  let workerURL = URL.createObjectURL(
     new Blob(
-      [`var getConverter =${getConverter.toString()};var convert = getConverter(); onmessage = function (event) { var data = JSON.parse(event.data); postMessage(JSON.stringify({stamp: data.stamp, output: convert(data.input, data.options)})); };`],
-      { type: 'application/javascript' }
-    )
+      [
+        `var getConverter =${getConverter.toString()};var convert = getConverter(); onmessage = function (event) { var data = JSON.parse(event.data); postMessage(JSON.stringify({stamp: data.stamp, output: convert(data.input, data.options)})); };`,
+      ],
+      { type: 'application/javascript' },
+    ),
   );
   worker = new Worker(workerURL);
   URL.revokeObjectURL(workerURL);
-  worker.addEventListener('message', function (event) {
-    var data = JSON.parse(event.data);
-    var stamp = data.stamp;
+  worker.addEventListener('message', function(event) {
+    let data = JSON.parse(event.data);
+    let stamp = data.stamp;
     if (stamps[stamp]) {
@@ -1066,3 +1074,3 @@ stamps[stamp](data.output);
 
-  for (var i = 0; i < lines.length; i++) {
+  for (let i = 0; i < lines.length; i++) {
     let line = lines[i];
@@ -1087,3 +1095,3 @@ let labelLine = spaces ? line.replace(/ /g, '') : line;
         jcamp: `${line}\n`,
-        children: []
+        children: [],
       });
@@ -1094,3 +1102,3 @@ current = stack[stack.length - 1];
       current.jcamp += `${line}\n`;
-      var finished = stack.pop();
+      let finished = stack.pop();
       if (stack.length !== 0) {
@@ -1105,6 +1113,6 @@ current = stack[stack.length - 1];
       current.jcamp += `${line}\n`;
-      var match = labelLine.match(/^##(.*?)=(.+)/);
+      let match = labelLine.match(/^##(.*?)=(.+)/);
       if (match) {
-        var dataLabel = match[1].replace(/[ _-]/g, '').toUpperCase();
-        if (dataLabel === 'DATATYPE') {
+        let canonicDataLabel = match[1].replace(/[ _-]/g, '').toUpperCase();
+        if (canonicDataLabel === 'DATATYPE') {
           current.dataType = match[2].trim();
@@ -1131,3 +1139,3 @@ }
   convert: JcampConverter,
-  createTree: createTree
+  createTree: createTree,
 };

No alert changes

Improved metrics

Total package byte prevSize

44818

increased by1.52%

Lines of code

1003

increased by0.8%

Number of lines in readme file

99

increased by2.06%

Worsened metrics

Dev dependency count

9

increased by28.57%

No dependency changes