nmr-processing 3.4.0 → 6.0.0

package/lib/xyz/{xyzAutoPeaksPicking.js → xyzAutoZonesPicking.js}

@@ -22,7 +22,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.xyzAutoPeaksPicking = void 0;
+exports.xyzAutoZonesPicking = void 0;
 const ml_matrix_1 = require("ml-matrix");
 const convolution = __importStar(require("ml-matrix-convolution"));
 const matrixPeakFinders = __importStar(require("ml-matrix-peaks-finder"));
@@ -41,7 +41,7 @@ const smallFilter = [
     [0, 1, 3, 7, 7, 7, 3, 1, 0],
     [0, 0, 1, 2, 2, 2, 1, 0, 0],
 ];
-function xyzAutoPeaksPicking(spectraData, options) {
+function xyzAutoZonesPicking(spectraData, options) {
     let { sizeToPad = 14, realTopDetection = true, thresholdFactor = 0.5, nuclei = ['1H', '1H'], observedFrequencies, enhanceSymmetry = false, clean = true, maxPercentCutOff = 0.03, tolerances = [24, 24], convolutionByFFT = true, kernel: kernelOptions, } = options;
     if (!Array.isArray(observedFrequencies) &&
         !ArrayBuffer.isView(observedFrequencies)) {
@@ -103,9 +103,42 @@ function xyzAutoPeaksPicking(spectraData, options) {
     if (enhanceSymmetry) {
         signals = PeakOptimizer.enhanceSymmetry(signals);
     }
-    return signals;
+    return formatZones(signals);
+}
+exports.xyzAutoZonesPicking = xyzAutoZonesPicking;
+function formatZones(signals) {
+    let zones = [];
+    for (const signal of signals) {
+        let minMax1 = [Number.MAX_VALUE, 0];
+        let minMax2 = [Number.MAX_VALUE, 0];
+        for (const peak of signal.peaks || []) {
+            if (peak.minX < minMax1[0]) {
+                minMax1[0] = peak.minX;
+            }
+            if (peak.maxX > minMax1[1]) {
+                minMax1[1] = peak.maxX;
+            }
+            if (peak.minY < minMax2[0]) {
+                minMax2[0] = peak.minY;
+            }
+            if (peak.maxY > minMax2[1]) {
+                minMax2[1] = peak.maxY;
+            }
+        }
+        zones.push({
+            x: {
+                from: minMax1[0],
+                to: minMax1[1],
+            },
+            y: {
+                from: minMax2[0],
+                to: minMax2[1],
+            },
+            signals: [signal],
+        });
+    }
+    return zones;
 }
-exports.xyzAutoPeaksPicking = xyzAutoPeaksPicking;
 const createSignals2D = (peaks, options) => {
     let { nCols, nRows, absoluteData, originalData, observedFrequencies, tolerances, nuclei, realTopDetection, minY, maxY, minX, maxX, } = options;
     let [nucleusX, nucleusY] = nuclei;
@@ -133,9 +166,6 @@ const createSignals2D = (peaks, options) => {
         peaks[i].maxX = minX + dx * peaks[i].maxX;
         peaks[i].maxY = minY + dy * peaks[i].maxY;
         // Still having problems to correctly detect peaks on those areas. So I'm removing everything there.
-        if (peaks[i].y < -1 || peaks[i].y >= 210) {
-            peaks.splice(i, 1);
-        }
     }
     // The connectivity matrix is an square and symmetric matrix, so we'll only store the upper diagonal in an
     // array like form
@@ -169,8 +199,6 @@ const createSignals2D = (peaks, options) => {
                 },
             };
             let peaks2D = [];
-            let minMax1 = [Number.MAX_VALUE, 0];
-            let minMax2 = [Number.MAX_VALUE, 0];
             let sumZ = 0;
             for (let jPeak = 0; jPeak < cluster.length; jPeak++) {
                 if (cluster[jPeak] === 1) {
@@ -178,22 +206,8 @@ const createSignals2D = (peaks, options) => {
                     signal.x.delta += peaks[jPeak].x * peaks[jPeak].z;
                     signal.y.delta += peaks[jPeak].y * peaks[jPeak].z;
                     sumZ += peaks[jPeak].z;
-                    if (peaks[jPeak].minX < minMax1[0]) {
-                        minMax1[0] = peaks[jPeak].minX;
-                    }
-                    if (peaks[jPeak].maxX > minMax1[1]) {
-                        minMax1[1] = peaks[jPeak].maxX;
-                    }
-                    if (peaks[jPeak].minY < minMax2[0]) {
-                        minMax2[0] = peaks[jPeak].minY;
-                    }
-                    if (peaks[jPeak].maxY > minMax2[1]) {
-                        minMax2[1] = peaks[jPeak].maxY;
-                    }
                 }
             }
-            signal.x.fromTo = { from: minMax1[0], to: minMax1[1] };
-            signal.y.fromTo = { from: minMax2[0], to: minMax2[1] };
             signal.x.delta /= sumZ;
             signal.y.delta /= sumZ;
             signal.peaks = peaks2D;
@@ -231,4 +245,4 @@ const padData = (spectraData, options) => {
         maxY: maxY + yOffset * yInterval,
     };
 };
-//# sourceMappingURL=xyzAutoPeaksPicking.js.map
+//# sourceMappingURL=xyzAutoZonesPicking.js.map

package/lib/xyz/xyzAutoZonesPicking.js.map

@@ -0,0 +1 @@
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package/lib/xyz/xyzJResAnalyzer.js.map

@@ -1 +1 @@
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package/lib-esm/assignment/get13CAssignments.js.map

@@ -1 +1 @@
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+{"version":3,"file":"get13CAssignments.js","sourceRoot":"","sources":["../../src/assignment/get13CAssignments.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,iCAAiC,EAAE,MAAM,mBAAmB,CAAC;AAGtE,OAAO,EACL,aAAa,GAEd,MAAM,6BAA6B,CAAC;AAOrC,OAAO,EAAmB,gBAAgB,EAAE,MAAM,0BAA0B,CAAC;AAC7E,OAAO,UAAU,MAAM,oBAAoB,CAAC;AAE5C,SAAS,mBAAmB,CAC1B,OAAsB;IAEtB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,CAAC,MAAM,CAAC,KAAK;YAAE,MAAM,IAAI,KAAK,CAAC,+BAA+B,CAAC,CAAC;QACpE,IAAI,CAAC,MAAM,CAAC,MAAM;YAAE,MAAM,IAAI,KAAK,CAAC,gCAAgC,CAAC,CAAC;QACtE,IAAI,CAAC,MAAM,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACzE;AACH,CAAC;AAED,SAAS,gBAAgB,CAAC,MAAkB;IAC1C,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,IAAI,KAAK,CAAC,WAAW,KAAK,SAAS;YAAE,KAAK,CAAC,WAAW,GAAG,CAAC,CAAC;KAC5D;IACD,OAAO,MAAmC,CAAC;AAC7C,CAAC;AA8BD,MAAM,CAAC,KAAK,UAAU,iBAAiB,CACrC,MAAkB,EAClB,QAAkB,EAClB,UAAoC,EAAE;IAEtC,IAAI,EACF,eAAe,GAAG,EAAE,EACpB,QAAQ,GAAG,CAAC,EACZ,YAAY,GAAG,EAAE,EACjB,mBAAmB,GAAG,CAAC,EACvB,OAAO,GAAG,IAAI,EACd,iBAAiB,GAAG,EAAE,GACvB,GAAG,OAAO,CAAC;IAEZ,IAAI,CAAC,QAAQ,EAAE;QACb,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IAED,iCAAiC,CAAC,QAAQ,CAAC,CAAC;IAC5C,MAAM,EAAE,aAAa,EAAE,GAAG,MAAM,aAAa,CAAC,QAAQ,EAAE,iBAAiB,CAAC,CAAC;IAE3E,mBAAmB,CAAC,aAAa,CAAC,CAAC;IACnC,MAAM,UAAU,GAAG,gBAAgB,CAAC,MAAM,CAAC,CAAC;IAE5C,MAAM,OAAO,GAAY,EAAE,CAAC;IAC5B,KAAK,MAAM,KAAK,IAAI,UAAU,EAAE;QAC9B,MAAM,EAAE,EAAE,GAAG,UAAU,EAAE,EAAE,GAAG,KAAK,CAAC;QACpC,OAAO,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC;KACjD;IAED,OAAO,gBAAgB,CAAC;QACtB,eAAe;QACf,OAAO;QACP,QAAQ;QACR,mBAAmB;QACnB,YAAY;QACZ,OAAO;QACP,aAAa;QACb,yBAAyB,EAAE,KAAK;KACjC,CAAC,CAAC;AACL,CAAC"}

package/lib-esm/assignment/utils/buildAssignments.js

@@ -34,7 +34,6 @@ export async function buildAssignments(props) {
         predictions,
         targets,
     });
-    console.log('possibles', possibleAssignmentMap);
     const diaIDPeerPossibleAssignment = Object.keys(possibleAssignmentMap);
     let partial = fillPartial(nSources);
     store = {

package/lib-esm/assignment/utils/buildAssignments.js.map

@@ -1 +1 @@
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package/lib-esm/assignment/utils/createMapPossibleAssignments.js

@@ -2,7 +2,6 @@ export function createMapPossibleAssignments(props) {
     const { restrictionByCS, predictions, targets, useIntegrationRestriction } = props;
     const { tolerance: toleranceCS, chemicalShiftRestriction } = restrictionByCS;
     let errorAbs = Math.abs(toleranceCS);
-    console.log('use INT', useIntegrationRestriction);
     const expandMap = {};
     for (const diaID in predictions) {
         let prediction = predictions[diaID];

package/lib-esm/assignment/utils/createMapPossibleAssignments.js.map

@@ -1 +1 @@
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+{"version":3,"file":"createMapPossibleAssignments.js","sourceRoot":"","sources":["../../../src/assignment/utils/createMapPossibleAssignments.ts"],"names":[],"mappings":"AAuBA,MAAM,UAAU,4BAA4B,CAC1C,KAAmC;IAEnC,MAAM,EAAE,eAAe,EAAE,WAAW,EAAE,OAAO,EAAE,yBAAyB,EAAE,GACxE,KAAK,CAAC;IAER,MAAM,EAAE,SAAS,EAAE,WAAW,EAAE,wBAAwB,EAAE,GAAG,eAAe,CAAC;IAE7E,IAAI,QAAQ,GAAG,IAAI,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC;IACrC,MAAM,SAAS,GAA0B,EAAE,CAAC;IAC5C,KAAK,MAAM,KAAK,IAAI,WAAW,EAAE;QAC/B,IAAI,UAAU,GAAG,WAAW,CAAC,KAAK,CAAC,CAAC;QACpC,IAAI,UAAU,CAAC,KAAK;YAAE,UAAU,CAAC,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC;QACpE,SAAS,CAAC,KAAK,CAAC,GAAG,EAAE,CAAC;QAEtB,IAAI,OAAO,EAAE;YACX,KAAK,MAAM,QAAQ,IAAI,OAAO,EAAE;gBAC9B,IAAI,MAAM,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;gBAC/B,MAAM,EAAE,OAAO,EAAE,GAAG,UAAU,CAAC;gBAC/B,MAAM,EAAE,WAAW,EAAE,GAAG,MAAM,CAAC;gBAE/B,MAAM,eAAe,GAAG,yBAAyB;oBAC/C,CAAC,CAAC,WAAW,GAAG,CAAC;wBACf,CAAC,CAAC,OAAO,GAAG,WAAW,GAAG,CAAC;wBAC3B,CAAC,CAAC,IAAI;oBACR,CAAC,CAAC,IAAI,CAAC;gBAET,IAAI,eAAe,EAAE;oBACnB,IACE,CAAC,wBAAwB;wBACzB,OAAO,UAAU,CAAC,KAAK,KAAK,WAAW,EACvC;wBACA,sCAAsC;wBACtC,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;qBACjC;yBAAM;wBACL,IAAI,KAAK,GAAG,QAAQ,CAAC;wBACrB,IAAI,UAAU,CAAC,KAAK,EAAE;4BACpB,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC;yBAC3C;wBACD,MAAM,KAAK,GACT,MAAM,CAAC,OAAO,IAAI,MAAM,CAAC,OAAO,CAAC,MAAM,GAAG,CAAC;4BACzC,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK;4BACzB,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;wBAEpC,IAAI,cAAc,GAAG,IAAI,CAAC,GAAG,CAAC,UAAU,CAAC,KAAK,GAAG,KAAK,GAAG,QAAQ,CAAC,CAAC;wBACnE,IAAI,cAAc,GAAG,CAAC,GAAG,QAAQ,EAAE;4BACjC,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;yBACjC;qBACF;iBACF;aACF;SACF;QACD,SAAS,CAAC,KAAK,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;KAC5B;IACD,OAAO,SAAS,CAAC;AACnB,CAAC"}

package/lib-esm/constants/couplingValues.js.map

@@ -1 +1 @@
-{"version":3,"file":"couplingValues.js","sourceRoot":"","sources":["../../src/constants/couplingValues.ts"],"names":[],"mappings":"AAAA,MAAM,CAAC,MAAM,cAAc,GAA4B;IACrD,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,KAAK,EAAE,CAAC;IACR,CAAC,EAAE,CAAC;IACJ,GAAG,EAAE,CAAC;IACN,IAAI,EAAE,CAAC;IACP,IAAI,EAAE,CAAC;IACP,GAAG,EAAE,CAAC;IACN,CAAC,EAAE,CAAC;IACJ,GAAG,EAAE,CAAC;IACN,CAAC,EAAE,CAAC;CACL,CAAC"}
+{"version":3,"file":"couplingValues.js","sourceRoot":"","sources":["../../src/constants/couplingValues.ts"],"names":[],"mappings":"AAAA,MAAM,CAAC,MAAM,cAAc,GAA8B;IACvD,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,CAAC,EAAE,CAAC;IACJ,KAAK,EAAE,CAAC;IACR,CAAC,EAAE,CAAC;IACJ,GAAG,EAAE,CAAC;IACN,IAAI,EAAE,CAAC;IACP,IAAI,EAAE,CAAC;IACP,GAAG,EAAE,CAAC;IACN,CAAC,EAAE,CAAC;IACJ,GAAG,EAAE,CAAC;IACN,CAAC,EAAE,CAAC;CACL,CAAC"}

package/lib-esm/index.js

@@ -19,7 +19,7 @@ export * from './utilities/resurrect';
 export * from './utilities/rangeFromSignal';
 export * from './xy/xyAutoPeaksPicking';
 export * from './xy/xyAutoRangesPicking';
-export * from './xyz/xyzAutoPeaksPicking';
+export * from './xyz/xyzAutoZonesPicking';
 export * from './xyz/xyzJResAnalyzer';
 export * from './databases/getDatabase';
 export * from './databases/carbonImpurities';

package/lib-esm/peaks/peaksFilterImpurities.js

@@ -29,7 +29,7 @@ function checkImpurity(peakList, impurity, options) {
     while (i--) {
         j = peakList.length;
         while (j--) {
-            tolerance = error + peakList[j].shape.width;
+            tolerance = error + peakList[j].width;
             difference = Math.abs(impurity[i].shift - peakList[j].x);
             if (difference < tolerance) {
                 // && (impurity[i].multiplicity === '' || (impurity[i].multiplicity.indexOf(peakList[j].multiplicity)) { // some impurities has multiplicities like 'bs' but at presents it is unsupported

package/lib-esm/peaks/peaksFilterImpurities.js.map

@@ -1 +1 @@
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package/lib-esm/peaks/peaksToRanges.js

@@ -17,22 +17,20 @@ const assignSignal = (peak, frequency, nucleus) => {
         delta: NaN,
         nbPeaks: 1,
         kind: 'signal',
-        startX: peak.x - peak.shape.width,
-        stopX: peak.x + peak.shape.width,
+        startX: peak.x - peak.width,
+        stopX: peak.x + peak.width,
         observe: frequency,
         nucleus,
         integralData: {
-            from: peak.x - peak.shape.width * 3,
-            to: peak.x + peak.shape.width * 3,
+            from: peak.x - peak.width * 3,
+            to: peak.x + peak.width * 3,
             value: 0,
         },
         peaks: [
             {
                 x: peak.x,
                 intensity: peak.y,
-                shape: {
-                    width: peak.shape.width,
-                },
+                width: peak.width,
             },
         ],
     };
@@ -81,9 +79,7 @@ export function peaksToRanges(data, peakList, options = {}) {
                         peaksO.push({
                             x: peakR.x,
                             y: peakR.intensity,
-                            shape: {
-                                width: peakR.shape.width,
-                            },
+                            width: peakR.width,
                         });
                         signal.mask.splice(j, 1);
                         signal.mask2.splice(j, 1);
@@ -194,19 +190,17 @@ function detectSignals(data, peakList, options = {}) {
             signals.push(signal1D);
         }
         else {
-            let tmp = peak.x + peak.shape.width;
+            let tmp = peak.x + peak.width;
             signal1D.stopX = Math.max(signal1D.stopX, tmp);
             signal1D.startX = Math.min(signal1D.startX, tmp);
             signal1D.nbPeaks++;
             signal1D.peaks.push({
                 x: peak.x,
                 intensity: peak.y,
-                shape: {
-                    width: peak.shape.width,
-                },
+                width: peak.width,
             });
-            signal1D.integralData.from = Math.min(signal1D.integralData.from, peak.x - peak.shape.width * 3);
-            signal1D.integralData.to = Math.max(signal1D.integralData.to, peak.x + peak.shape.width * 3);
+            signal1D.integralData.from = Math.min(signal1D.integralData.from, peak.x - peak.width * 3);
+            signal1D.integralData.to = Math.max(signal1D.integralData.to, peak.x + peak.width * 3);
             if (peak.kind)
                 signal1D.kind = peak.kind;
         }
@@ -250,6 +244,6 @@ function detectSignals(data, peakList, options = {}) {
  * @private
  */
 function computeArea(peak) {
-    return Math.abs(peak.intensity * peak.shape.width * 1.57); // todo add an option with this value: 1.772453851
+    return Math.abs(peak.intensity * peak.width * 1.57); // todo add an option with this value: 1.772453851
 }
 //# sourceMappingURL=peaksToRanges.js.map

package/lib-esm/peaks/peaksToRanges.js.map

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package/lib-esm/peaks/util/determineRealTop.js

@@ -1,6 +1,5 @@
 import LM from 'ml-levenberg-marquardt';
-import { gaussian2D } from 'ml-peak-shape-generator';
-const { fct: gaussian2DFct } = gaussian2D;
+import { Gaussian2D } from 'ml-peak-shape-generator';
 const direction8X = [-1, -1, -1, 0, 0, 1, 1, 1];
 const direction8Y = [-1, 0, 1, -1, 1, -1, 0, 1];
 const direction16X = [-2, -2, -2, -2, -2, -1, -1, 0, 0, 1, 1, 2, 2, 2, 2, 2];
@@ -106,6 +105,7 @@ function fitGaussian(data, options) {
     };
 }
 function paramGaussian2D(intervalX, intervalY, nCols) {
+    const gaussian2D = new Gaussian2D();
     return (p) => {
         return (t) => {
             let nL = p.length / 5;
@@ -113,9 +113,10 @@ function paramGaussian2D(intervalX, intervalY, nCols) {
             let xIndex = t % nCols;
             let yIndex = (t - xIndex) / nCols;
             for (let i = 0; i < nL; i++) {
+                gaussian2D.fwhm = { x: p[i + 3 * nL], y: p[i + 4 * nL] };
                 result +=
                     p[i + 2 * nL] *
-                        gaussian2DFct((xIndex - p[i]) * intervalX, (yIndex - p[i + nL]) * intervalY, p[i + 3 * nL], p[i + 4 * nL]);
+                        gaussian2D.fct((xIndex - p[i]) * intervalX, (yIndex - p[i + nL]) * intervalY);
             }
             return result;
         };

package/lib-esm/peaks/util/determineRealTop.js.map

@@ -1 +1 @@
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package/lib-esm/peaks/util/jAnalyzer.js

@@ -86,7 +86,9 @@ export default {
                     k = 1;
                     let nFlagged = 2;
                     maxFlagged = Math.pow(2, n) - 1;
-                    while (jCouplings.length < n && nFlagged < maxFlagged && k < peaks.length) {
+                    while (jCouplings.length < n &&
+                        nFlagged < maxFlagged &&
+                        k < peaks.length) {
                         counter += 1;
                         // 4.1. Increment j. Set k to the number of the first unflagged component.
                         j++;
@@ -150,13 +152,12 @@ function updateSignal(signal, jCouplings) {
     // Update the limits of the signal
     let peaks = signal.peaksComp; // Always in Hz
     let nbPeaks = peaks.length;
-    signal.startX = peaks[0].x / signal.observe - peaks[0].shape.width;
+    signal.startX = peaks[0].x / signal.observe - peaks[0].width;
     signal.stopX =
-        peaks[nbPeaks - 1].x / signal.observe + peaks[nbPeaks - 1].shape.width;
-    signal.integralData.from =
-        peaks[0].x / signal.observe - peaks[0].shape.width * 3;
+        peaks[nbPeaks - 1].x / signal.observe + peaks[nbPeaks - 1].width;
+    signal.integralData.from = peaks[0].x / signal.observe - peaks[0].width * 3;
     signal.integralData.to =
-        peaks[nbPeaks - 1].x / signal.observe + peaks[nbPeaks - 1].shape.width * 3;
+        peaks[nbPeaks - 1].x / signal.observe + peaks[nbPeaks - 1].width * 3;
     // Compile the pattern and format the constant couplings
     signal.maskPattern = signal.mask2;
     signal.multiplicity = abstractPattern(signal, jCouplings);
@@ -375,9 +376,7 @@ function symmetrize(signalInput, maxError, iteration, key) {
         peaks[i] = {
             x: peak[jAxis] * newSignal.observe,
             intensity: peak[intensity],
-            shape: {
-                width: peak.shape.width,
-            },
+            width: peak.width,
         };
     }
     // Join the peaks that are closer than 0.25 Hz
@@ -389,7 +388,7 @@ function symmetrize(signalInput, maxError, iteration, key) {
             peaks[i].intensity = peaks[i].intensity + peaks[i + 1].intensity;
             peaks[i].x /= peaks[i].intensity;
             peaks[i].intensity /= 2;
-            peaks[i].shape.width += peaks[i + 1].shape.width;
+            peaks[i].width += peaks[i + 1].width;
             peaks.splice(i + 1, 1);
         }
     }
@@ -437,9 +436,9 @@ function symmetrize(signalInput, maxError, iteration, key) {
                 let diffR = Math.abs(peaks[right].x - cs);
                 if (Math.abs(diffL - diffR) < maxError) {
                     avg = Math.min(peaks[left].intensity, peaks[right].intensity);
-                    avgWidth = Math.min(peaks[left].shape.width, peaks[right].shape.width);
+                    avgWidth = Math.min(peaks[left].width, peaks[right].width);
                     peaks[left].intensity = peaks[right].intensity = avg;
-                    peaks[left].shape.width = peaks[right].shape.width = avgWidth;
+                    peaks[left].width = peaks[right].width = avgWidth;
                     middle = [
                         middle[0] + (peaks[right].x + peaks[left].x) / 2,
                         middle[1] + 1,
@@ -616,6 +615,6 @@ function chemicalShift(peaks, mask = []) {
  * @private
  */
 function getArea(peak) {
-    return Math.abs(peak.intensity * peak.shape.width * 1.57); // 1.772453851);
+    return Math.abs(peak.intensity * peak.width * 1.57); // 1.772453851);
 }
 //# sourceMappingURL=jAnalyzer.js.map

package/lib-esm/peaks/util/jAnalyzer.js.map

@@ -1 +1 @@
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