nmr-processing 9.5.1 → 9.5.2-pre.1686022430

package/lib/datum/data2d/utils/getShift.js

@@ -0,0 +1,20 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.getShift = void 0;
+const Filters_1 = require("../../Filters");
+function getShift(spectrum) {
+    let shift = { x: 0, y: 0 };
+    if (spectrum?.filters) {
+        for (const filter of spectrum.filters) {
+            if (filter.name === Filters_1.Filters.shift2DX.id) {
+                shift.x = filter?.flag ? filter.value.shift : 0;
+            }
+            if (filter.name === Filters_1.Filters.shift2DY.id) {
+                shift.y = filter?.flag ? filter.value.shift : 0;
+            }
+        }
+    }
+    return shift;
+}
+exports.getShift = getShift;
+//# sourceMappingURL=getShift.js.map

package/lib/datum/data2d/utils/getShift.js.map

@@ -0,0 +1 @@
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package/lib/datum/data2d/utils/isZoneExists.d.ts

@@ -0,0 +1,4 @@
+import { Zone } from '../../../types/Zones/Zone';
+import { Entry2D } from '../Entry2D';
+import { Zone2DError } from './get2DSpectrumErrorValue';
+export declare function isZoneExists(zone: Zone, spectrum: Entry2D, error: Zone2DError): boolean;

package/lib/datum/data2d/utils/isZoneExists.js

@@ -0,0 +1,20 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.isZoneExists = void 0;
+function isZoneExists(zone, spectrum, error) {
+    const newXRange = zone.x || { from: 0, to: 0 };
+    const newYRange = zone.y || { from: 0, to: 0 };
+    if (!spectrum.zones?.values)
+        return false;
+    for (const { x, y } of spectrum.zones.values) {
+        if (Math.abs(newXRange.from - x.from) < error.x &&
+            Math.abs(newXRange.to - x.to) < error.x &&
+            Math.abs(newYRange.from - y.from) < error.y &&
+            Math.abs(newYRange.to - y.to) < error.y) {
+            return true;
+        }
+    }
+    return false;
+}
+exports.isZoneExists = isZoneExists;
+//# sourceMappingURL=isZoneExists.js.map

package/lib/datum/data2d/utils/isZoneExists.js.map

@@ -0,0 +1 @@
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package/lib/datum/data2d/utils/mapZones.d.ts

@@ -0,0 +1,36 @@
+import { Zone } from '../../../types/Zones/Zone';
+import { MapOptions } from '../../../types/common/MapOptions';
+import { Entry2D } from '../Entry2D';
+export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOptions): {
+    id: string;
+    x: {
+        from: number;
+        to: number;
+    };
+    y: {
+        from: number;
+        to: number;
+    };
+    signals: {
+        id: string;
+        kind: string;
+        x: {
+            originDelta: number;
+            delta: number;
+            nbAtoms?: number | undefined;
+            diaIDs?: string[] | undefined;
+        };
+        y: {
+            originDelta: number;
+            delta: number;
+            nbAtoms?: number | undefined;
+            diaIDs?: string[] | undefined;
+        };
+        sign?: number | undefined;
+        peaks?: import("../../..").Peak2D[] | undefined;
+        j?: {
+            pathLength?: number | import("cheminfo-types").FromTo | undefined;
+        } | undefined;
+    }[];
+    kind: string;
+}[];

package/lib/datum/data2d/utils/mapZones.js

@@ -0,0 +1,68 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.mapZones = void 0;
+const uuid_1 = require("@lukeed/uuid");
+const SignalsKinds_1 = require("../../../constants/SignalsKinds");
+const get2DSpectrumErrorValue_1 = require("./get2DSpectrumErrorValue");
+const getShift_1 = require("./getShift");
+const isZoneExists_1 = require("./isZoneExists");
+function getSignal(signal, shiftTarget, shift) {
+    const { x, y } = signal;
+    if (shiftTarget === 'origin') {
+        return {
+            ...signal,
+            x: {
+                ...x,
+                originDelta: x.delta - shift.x,
+            },
+            y: {
+                ...y,
+                originDelta: y.delta - shift.y,
+            },
+        };
+    }
+    else {
+        return {
+            ...signal,
+            x: {
+                ...x,
+                delta: x.originDelta + shift.x,
+            },
+            y: {
+                ...y,
+                delta: y.originDelta + shift.y,
+            },
+        };
+    }
+}
+function mapZones(zones, datum, options = {}) {
+    const { checkIsExisting = true, shiftTarget = 'origin' } = options;
+    const shift = (0, getShift_1.getShift)(datum);
+    const error = (0, get2DSpectrumErrorValue_1.get2DSpectrumErrorValue)(datum);
+    let _zones = zones;
+    if (checkIsExisting) {
+        _zones = zones.filter((zone) => !(0, isZoneExists_1.isZoneExists)(zone, datum, error));
+    }
+    return _zones.map((zone) => {
+        const x = zone.x || { from: 0, to: 0 };
+        const y = zone.y || { from: 0, to: 0 };
+        const signals = zone.signals.map((signal) => {
+            const { id, kind } = signal;
+            return {
+                ...getSignal(signal, shiftTarget, shift),
+                id: id || (0, uuid_1.v4)(),
+                kind: kind || 'signal',
+            };
+        });
+        return {
+            ...zone,
+            id: zone.id || (0, uuid_1.v4)(),
+            x: { from: x.from, to: x.to },
+            y: { from: y.from, to: y.to },
+            signals,
+            kind: zone.kind || SignalsKinds_1.DatumKind.signal,
+        };
+    });
+}
+exports.mapZones = mapZones;
+//# sourceMappingURL=mapZones.js.map

package/lib/datum/data2d/utils/mapZones.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"mapZones.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/mapZones.ts"],"names":[],"mappings":";;;AAAA,uCAAkC;AAElC,kEAA4D;AAM5D,uEAAoE;AACpE,yCAA+C;AAC/C,iDAA8C;AAE9C,SAAS,SAAS,CAAC,MAAgB,EAAE,WAAwB,EAAE,KAAc;IAC3E,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,MAAM,CAAC;IAExB,IAAI,WAAW,KAAK,QAAQ,EAAE;QAC5B,OAAO;YACL,GAAG,MAAM;YACT,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,WAAW,EAAE,CAAC,CAAC,KAAK,GAAG,KAAK,CAAC,CAAC;aAC/B;YACD,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,WAAW,EAAE,CAAC,CAAC,KAAK,GAAG,KAAK,CAAC,CAAC;aAC/B;SACF,CAAC;KACH;SAAM;QACL,OAAO;YACL,GAAG,MAAM;YACT,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,KAAK,EAAE,CAAC,CAAC,WAAW,GAAG,KAAK,CAAC,CAAC;aAC/B;YACD,CAAC,EAAE;gBACD,GAAG,CAAC;gBACJ,KAAK,EAAE,CAAC,CAAC,WAAW,GAAG,KAAK,CAAC,CAAC;aAC/B;SACF,CAAC;KACH;AACH,CAAC;AAED,SAAgB,QAAQ,CACtB,KAAa,EACb,KAAc,EACd,UAAsB,EAAE;IAExB,MAAM,EAAE,eAAe,GAAG,IAAI,EAAE,WAAW,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IACnE,MAAM,KAAK,GAAG,IAAA,mBAAQ,EAAC,KAAK,CAAC,CAAC;IAC9B,MAAM,KAAK,GAAG,IAAA,iDAAuB,EAAC,KAAK,CAAC,CAAC;IAE7C,IAAI,MAAM,GAAW,KAAK,CAAC;IAE3B,IAAI,eAAe,EAAE;QACnB,MAAM,GAAG,KAAK,CAAC,MAAM,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,IAAA,2BAAY,EAAC,IAAI,EAAE,KAAK,EAAE,KAAK,CAAC,CAAC,CAAC;KACpE;IAED,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,IAAU,EAAE,EAAE;QAC/B,MAAM,CAAC,GAAG,IAAI,CAAC,CAAC,IAAI,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC;QACvC,MAAM,CAAC,GAAG,IAAI,CAAC,CAAC,IAAI,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC;QAEvC,MAAM,OAAO,GAAG,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;YAC1C,MAAM,EAAE,EAAE,EAAE,IAAI,EAAE,GAAG,MAAM,CAAC;YAC5B,OAAO;gBACL,GAAG,SAAS,CAAC,MAAM,EAAE,WAAW,EAAE,KAAK,CAAC;gBACxC,EAAE,EAAE,EAAE,IAAI,IAAA,SAAE,GAAE;gBACd,IAAI,EAAE,IAAI,IAAI,QAAQ;aACvB,CAAC;QACJ,CAAC,CAAC,CAAC;QAEH,OAAO;YACL,GAAG,IAAI;YACP,EAAE,EAAE,IAAI,CAAC,EAAE,IAAI,IAAA,SAAE,GAAE;YACnB,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE;YAC7B,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE;YAC7B,OAAO;YACP,IAAI,EAAE,IAAI,CAAC,IAAI,IAAI,wBAAS,CAAC,MAAM;SACpC,CAAC;IACJ,CAAC,CAAC,CAAC;AACL,CAAC;AArCD,4BAqCC"}

package/lib/datum/data2d/utils/updateZones.d.ts

@@ -0,0 +1,2 @@
+import { Entry2D } from '../Entry2D';
+export declare function updateZones(spectrum: Entry2D): void;

package/lib/datum/data2d/utils/updateZones.js

@@ -0,0 +1,12 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.updateZones = void 0;
+const mapZones_1 = require("./mapZones");
+function updateZones(spectrum) {
+    spectrum.zones.values = (0, mapZones_1.mapZones)(spectrum.zones.values, spectrum, {
+        checkIsExisting: false,
+        shiftTarget: 'current',
+    });
+}
+exports.updateZones = updateZones;
+//# sourceMappingURL=updateZones.js.map

package/lib/datum/data2d/utils/updateZones.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"updateZones.js","sourceRoot":"","sources":["../../../../src/datum/data2d/utils/updateZones.ts"],"names":[],"mappings":";;;AAEA,yCAAsC;AAEtC,SAAgB,WAAW,CAAC,QAAiB;IAC3C,QAAQ,CAAC,KAAK,CAAC,MAAM,GAAG,IAAA,mBAAQ,EAAC,QAAQ,CAAC,KAAK,CAAC,MAAM,EAAE,QAAQ,EAAE;QAChE,eAAe,EAAE,KAAK;QACtB,WAAW,EAAE,SAAS;KACvB,CAAC,CAAC;AACL,CAAC;AALD,kCAKC"}

package/lib/index.d.ts

@@ -1,5 +1,6 @@
 export * from 'gyromagnetic-ratio';
 export * from './constants/impurities';
+export * from './constants/SignalsKinds';
 export * from './constants/couplingPatterns';
 export * from './peaks/peaksFilterImpurities';
 export * from './peaks/peaksToXY';
@@ -32,6 +33,7 @@ export * from './xy/xyPeaksOptimization';
 export * from './xyz/xyzAutoZonesPicking';
 export * from './xyz/xyzAutoSignalsPicking';
 export * from './xyz/xyzJResAnalyzer';
+export * from './xyz/xyzBidimensionalFFT';
 export * from './databases/getDatabase';
 export * from './databases/carbonImpurities';
 export * from './databases/protonImpurities';
@@ -44,8 +46,39 @@ export * from './multiplicity/splitPatterns';
 export * from './multiplicity/checkMultiplet';
 export * from './multiplicity/checkMultiplicity';
 export * from './multiplicity/translateMultiplet';
+export * from './datum/Filters';
+export * as FiltersManager from './datum/FiltersManager';
+export * from './datum/data1d/utils/getShiftX';
+export * from './datum/data1d/utils/getSpectrumErrorValue';
+export * from './datum/data1d/utils/mapPeaks';
+export * from './datum/data1d/utils/mapRanges';
+export * from './datum/data1d/utils/mapIntegrals';
+export * from './datum/data1d/utils/updateRanges';
+export * from './datum/data1d/utils/checkIntegralKind';
+export * from './datum/data1d/utils/updateRangesRelativeValues';
+export * from './datum/data1d/utils/updateIntegralsRelativeValues';
+export * as RangeUtilities from './datum/data1d/utils/RangeUtilities';
+export type { BaseFilter, Filter } from './types/Filter';
+export type { MatrixOptions } from './datum/MatrixOptions';
 export type { NMRSignal1D } from './signals/NMRSignal1D';
 export type { NMRSignal2D, Signal2DProjection } from './xyz/NMRSignal2D';
+export type { Peaks } from './types/Peaks/Peaks';
+export type { Peak1D } from './types/Peaks/Peak1D';
+export type { Peak2D } from './types/Peaks/Peak2D';
+export type { Signal1D } from './types/Signals/Signal1D';
+export type { Signal2D } from './types/Signals/Signal2D';
+export type { Range, Ranges } from './types/Ranges/Ranges';
+export type { Zone } from './types/Zones/Zone';
+export type { Zones } from './types/Zones/Zones';
+export type { Data1D } from './types/Data1D';
+export type { Data2D } from './types/Data2D';
+export type { Info1D } from './types/Info/Info1D';
+export type { Info2D } from './types/Info/Info2D';
+export type { Integral } from './types/Integral';
+export type { Integrals } from './types/Integrals';
+export type { Nuclei } from 'gyromagnetic-ratio';
+export type { Nucleus } from './types/Nucleus';
+export type { SumOptions } from './types/Options/SumOptions';
 export type { NMRRange } from './xy/NMRRange';
 export type { NMRZone } from './xyz/NMRZone';
 export type { NMRPeak1D } from './peaks/NMRPeak1D';

package/lib/index.js

@@ -10,12 +10,26 @@ var __createBinding = (this && this.__createBinding) || (Object.create ? (functi
     if (k2 === undefined) k2 = k;
     o[k2] = m[k];
 }));
+var __setModuleDefault = (this && this.__setModuleDefault) || (Object.create ? (function(o, v) {
+    Object.defineProperty(o, "default", { enumerable: true, value: v });
+}) : function(o, v) {
+    o["default"] = v;
+});
 var __exportStar = (this && this.__exportStar) || function(m, exports) {
     for (var p in m) if (p !== "default" && !Object.prototype.hasOwnProperty.call(exports, p)) __createBinding(exports, m, p);
 };
+var __importStar = (this && this.__importStar) || function (mod) {
+    if (mod && mod.__esModule) return mod;
+    var result = {};
+    if (mod != null) for (var k in mod) if (k !== "default" && Object.prototype.hasOwnProperty.call(mod, k)) __createBinding(result, mod, k);
+    __setModuleDefault(result, mod);
+    return result;
+};
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.RangeUtilities = exports.FiltersManager = void 0;
 __exportStar(require("gyromagnetic-ratio"), exports);
 __exportStar(require("./constants/impurities"), exports);
+__exportStar(require("./constants/SignalsKinds"), exports);
 __exportStar(require("./constants/couplingPatterns"), exports);
 __exportStar(require("./peaks/peaksFilterImpurities"), exports);
 __exportStar(require("./peaks/peaksToXY"), exports);
@@ -48,6 +62,7 @@ __exportStar(require("./xy/xyPeaksOptimization"), exports);
 __exportStar(require("./xyz/xyzAutoZonesPicking"), exports);
 __exportStar(require("./xyz/xyzAutoSignalsPicking"), exports);
 __exportStar(require("./xyz/xyzJResAnalyzer"), exports);
+__exportStar(require("./xyz/xyzBidimensionalFFT"), exports);
 __exportStar(require("./databases/getDatabase"), exports);
 __exportStar(require("./databases/carbonImpurities"), exports);
 __exportStar(require("./databases/protonImpurities"), exports);
@@ -60,4 +75,16 @@ __exportStar(require("./multiplicity/splitPatterns"), exports);
 __exportStar(require("./multiplicity/checkMultiplet"), exports);
 __exportStar(require("./multiplicity/checkMultiplicity"), exports);
 __exportStar(require("./multiplicity/translateMultiplet"), exports);
+__exportStar(require("./datum/Filters"), exports);
+exports.FiltersManager = __importStar(require("./datum/FiltersManager"));
+__exportStar(require("./datum/data1d/utils/getShiftX"), exports);
+__exportStar(require("./datum/data1d/utils/getSpectrumErrorValue"), exports);
+__exportStar(require("./datum/data1d/utils/mapPeaks"), exports);
+__exportStar(require("./datum/data1d/utils/mapRanges"), exports);
+__exportStar(require("./datum/data1d/utils/mapIntegrals"), exports);
+__exportStar(require("./datum/data1d/utils/updateRanges"), exports);
+__exportStar(require("./datum/data1d/utils/checkIntegralKind"), exports);
+__exportStar(require("./datum/data1d/utils/updateRangesRelativeValues"), exports);
+__exportStar(require("./datum/data1d/utils/updateIntegralsRelativeValues"), exports);
+exports.RangeUtilities = __importStar(require("./datum/data1d/utils/RangeUtilities"));
 //# sourceMappingURL=index.js.map

package/lib/index.js.map

@@ -1 +1 @@
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+{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,2DAAyC;AACzC,+DAA6C;AAE7C,gEAA8C;AAC9C,oDAAkC;AAClC,mDAAiC;AAEjC,6DAA2C;AAC3C,6DAA2C;AAC3C,2DAAyC;AACzC,2DAAyC;AACzC,2DAAyC;AACzC,0DAAwC;AACxC,iEAA+C;AAE/C,gEAA8C;AAC9C,iEAA+C;AAC/C,8DAA4C;AAE5C,uDAAqC;AACrC,sDAAoC;AAEpC,4DAA0C;AAC1C,wDAAsC;AACtC,yDAAuC;AACvC,4DAA0C;AAC1C,yDAAuC;AACvC,+DAA6C;AAE7C,wDAAsC;AACtC,8DAA4C;AAC5C,2DAAyC;AACzC,+DAA6C;AAE7C,0DAAwC;AACxC,2DAAyC;AACzC,2DAAyC;AAEzC,4DAA0C;AAC1C,8DAA4C;AAC5C,wDAAsC;AACtC,4DAA0C;AAE1C,0DAAwC;AACxC,+DAA6C;AAC7C,+DAA6C;AAE7C,6DAA2C;AAC3C,6DAA2C;AAE3C,4DAA0C;AAE1C,mEAAiD;AAEjD,+DAA6C;AAC7C,+DAA6C;AAC7C,gEAA8C;AAC9C,mEAAiD;AACjD,oEAAkD;AAElD,kDAAgC;AAChC,yEAAyD;AACzD,iEAA+C;AAC/C,6EAA2D;AAC3D,gEAA8C;AAC9C,iEAA+C;AAC/C,oEAAkD;AAClD,oEAAkD;AAClD,yEAAuD;AACvD,kFAAgE;AAChE,qFAAmE;AACnE,sFAAsE"}

package/lib/multiplicity/joinPatterns.js

@@ -13,7 +13,7 @@ function joinPatterns(patterns, options) {
     if (!couplingPatterns_1.couplingPatterns[sum]) {
         throw new Error("The joined pattern doesn't exist");
     }
-    return (options === null || options === void 0 ? void 0 : options.acsFormat) ? couplingPatterns_1.couplingACSPatterns[sum] : couplingPatterns_1.couplingPatterns[sum];
+    return options?.acsFormat ? couplingPatterns_1.couplingACSPatterns[sum] : couplingPatterns_1.couplingPatterns[sum];
 }
 exports.joinPatterns = joinPatterns;
 //# sourceMappingURL=joinPatterns.js.map

package/lib/multiplicity/joinPatterns.js.map

@@ -1 +1 @@
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+{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":";;;AAAA,oEAGuC;AACvC,gEAA6D;AAgB7D,SAAgB,YAAY,CAC1B,QAAkB,EAClB,OAA6B;IAE7B,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,+BAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,+BAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,+BAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,mCAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,OAAO,EAAE,SAAS,CAAC,CAAC,CAAC,sCAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,mCAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC;AAlBD,oCAkBC"}

package/lib/prediction/utils/getPredictions.js

@@ -3,7 +3,7 @@ Object.defineProperty(exports, "__esModule", { value: true });
 exports.getPredictions = void 0;
 async function getPredictions(key, molecule, predictOptions, predictor, predictions) {
     let prediction;
-    if (predictions === null || predictions === void 0 ? void 0 : predictions[key]) {
+    if (predictions?.[key]) {
         prediction = predictions[key];
     }
     else if (predictor) {

package/lib/prediction/utils/getPredictions.js.map

@@ -1 +1 @@
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+{"version":3,"file":"getPredictions.js","sourceRoot":"","sources":["../../../src/prediction/utils/getPredictions.ts"],"names":[],"mappings":";;;AAMO,KAAK,UAAU,cAAc,CAClC,GAAW,EACX,QAAkB,EAClB,cAA8B,EAC9B,SAAsB,EACtB,WAAyB;IAEzB,IAAI,UAAoC,CAAC;IACzC,IAAI,WAAW,EAAE,CAAC,GAAG,CAAC,EAAE;QACtB,UAAU,GAAG,WAAW,CAAC,GAAG,CAAC,CAAC;KAC/B;SAAM,IAAI,SAAS,EAAE;QACpB,MAAM,aAAa,GAAG,SAAS,CAAC,GAAG,CAAC,CAAC;QACrC,UAAU,GAAG,aAAa;YACxB,CAAC,CAAC,MAAM,aAAa,CAAC,QAAQ,EAAE,cAAc,CAAC,GAAG,CAAC,CAAC;YACpD,CAAC,CAAC,SAAS,CAAC;KACf;IACD,OAAO,UAAU,CAAC;AACpB,CAAC;AAjBD,wCAiBC"}

package/lib/signal/signalJoinCouplings.js

@@ -1,10 +1,7 @@
 "use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
-};
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.signalJoinCouplings = void 0;
-const ml_array_sum_1 = __importDefault(require("ml-array-sum"));
+const ml_spectra_processing_1 = require("ml-spectra-processing");
 const joinPatterns_1 = require("../multiplicity/joinPatterns");
 const localeCompare = (a, b) => a.localeCompare(b);
 const localeCompareJcouplingKeys = (a, b) => {
@@ -50,7 +47,7 @@ function groupJCouplings(signal, comparator, options) {
     }
     signal.js = [];
     for (let group of groups) {
-        let coupling = (0, ml_array_sum_1.default)(group.map((group) => group.coupling)) / group.length;
+        let coupling = (0, ml_spectra_processing_1.xSum)(group.map((group) => group.coupling)) / group.length;
         let atoms = distinctValues(group
             .filter((group) => group.atoms)
             .map((group) => group.atoms)

package/lib/signal/signalJoinCouplings.js.map

@@ -1 +1 @@
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+{"version":3,"file":"signalJoinCouplings.js","sourceRoot":"","sources":["../../src/signal/signalJoinCouplings.ts"],"names":[],"mappings":";;;AAAA,iEAA6C;AAE7C,+DAA4D;AA6B5D,MAAM,aAAa,GAAG,CAAC,CAAS,EAAE,CAAS,EAAE,EAAE,CAAC,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;AACnE,MAAM,0BAA0B,GAAG,CACjC,CAAqB,EACrB,CAAqB,EACrB,EAAE;IACF,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;IACvD,MAAM,EAAE,GAAG,GAAG,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;IACvD,OAAO,aAAa,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;AAC/B,CAAC,CAAC;AAEF,MAAM,YAAY,GAAG,CAAC,CAAY,EAAE,CAAY,EAAE,SAAiB,EAAE,EAAE,CACrE,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,GAAG,SAAS,CAAC;AAEhD,MAAM,cAAc,GAAG,CACrB,CAAqB,EACrB,CAAqB,EACrB,SAAiB,EACjB,EAAE,CAAC,0BAA0B,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,CAAC,IAAI,YAAY,CAAC,CAAC,EAAE,CAAC,EAAE,SAAS,CAAC,CAAC;AAE7E;;;;GAIG;AACH,SAAgB,mBAAmB,CACjC,MAAmB,EACnB,UAAsC,EAAE;IAExC,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,YAAY,GAAG,KAAK,EAAE,SAAS,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IAE9E,IAAI,CAAC,MAAM,CAAC,EAAE,IAAI,MAAM,CAAC,EAAE,CAAC,MAAM,GAAG,CAAC;QAAE,OAAO,MAAM,CAAC;IAEtD,IAAI,YAAY,EAAE;QAChB,OAAO,CAAC,MAAM,CAAC,CAAC;QAChB,OAAO,eAAe,CAAC,MAAM,EAAE,YAAY,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;KACxE;SAAM;QACL,eAAe,CAAC,MAAM,CAAC,CAAC;QACxB,OAAO,eAAe,CAAC,MAAM,EAAE,cAAc,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;KAC1E;AACH,CAAC;AAfD,kDAeC;AAED,SAAS,eAAe,CACtB,MAAuB,EACvB,UAAe,EACf,OAAmD;IAEnD,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IACzC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,CAAC;IAElD,IAAI,YAAY,GAAG,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAClC,IAAI,MAAM,GAAG,CAAC,YAAY,CAAC,CAAC;IAC5B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACzC,IAAI,QAAQ,GAAG,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;QAC5B,IACE,UAAU,CAAC,YAAY,CAAC,YAAY,CAAC,MAAM,GAAG,CAAC,CAAC,EAAE,QAAQ,EAAE,SAAS,CAAC,EACtE;YACA,YAAY,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;SAC7B;aAAM;YACL,YAAY,GAAG,CAAC,QAAQ,CAAC,CAAC;YAC1B,MAAM,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;SAC3B;KACF;IAED,MAAM,CAAC,EAAE,GAAG,EAAE,CAAC;IACf,KAAK,IAAI,KAAK,IAAI,MAAM,EAAE;QACxB,IAAI,QAAQ,GAAG,IAAA,4BAAI,EAAC,KAAK,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,QAAQ,CAAC,CAAC,GAAG,KAAK,CAAC,MAAM,CAAC;QACzE,IAAI,KAAK,GAAG,cAAc,CACxB,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC;aAC9B,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC;aAC3B,IAAI,EAAc,CACV,CAAC;QAEd,IAAI,UAAU,GAAG,cAAc,CAC7B,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAC;aACnC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAC;aAChC,IAAI,EAAc,CACtB,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC;QAEZ,IAAI,MAAM,GAAG,cAAc,CACzB,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC;aAC/B,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC;aAC5B,IAAI,EAAc,CACV,CAAC;QAEd,IAAI,SAAS,GAAG,cAAc,CAC5B,KAAK,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,UAAU,CAAa,CACvC,CAAC;QAEd,IAAI,YAAY,GAAG,IAAA,2BAAY,EAC7B,KAAK;aACF,MAAM,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,YAAY,CAAC;aACrC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,YAAY,CAAa,EACjD,EAAE,SAAS,EAAE,CACd,CAAC;QAEF,IAAI,IAAI,GAAc;YACpB,QAAQ;YACR,YAAY;SACb,CAAC;QAEF,IAAI,MAAM,CAAC,MAAM,KAAK,CAAC;YAAE,IAAI,CAAC,MAAM,GAAG,MAAM,CAAC;QAC9C,IAAI,SAAS,CAAC,MAAM,KAAK,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC;YAAE,IAAI,CAAC,UAAU,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC3E,IAAI,UAAU,CAAC,MAAM,GAAG,CAAC;YAAE,IAAI,CAAC,UAAU,GAAG,UAAU,CAAC;QACxD,IAAI,KAAK,CAAC,MAAM,GAAG,CAAC;YAAE,IAAI,CAAC,KAAK,GAAG,KAAK,CAAC;QACzC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;KACtB;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAED,SAAS,cAAc,CAAC,KAA0B;IAChD,MAAM,cAAc,GAAG,IAAI,GAAG,EAAE,CAAC;IACjC,KAAK,MAAM,OAAO,IAAI,KAAK,EAAE;QAC3B,cAAc,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC;KAC7B;IAED,OAAO,KAAK,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;AACpC,CAAC;AAED,SAAS,eAAe,CACtB,MAAmB;IAEnB,IAAI,CAAC,MAAM,CAAC,EAAE;QAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;IACnD,KAAK,MAAM,SAAS,IAAI,MAAM,CAAC,EAAE,EAAE;QACjC,IAAI,CAAC,SAAS,CAAC,MAAM;YAAE,MAAM,IAAI,KAAK,CAAC,qBAAqB,CAAC,CAAC;KAC/D;AACH,CAAC;AAED,SAAS,OAAO,CAAC,MAAmB;IAClC,IAAI,CAAC,MAAM,CAAC,EAAE;QAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;AACrD,CAAC"}

package/lib/signal/signalMultiplicityPattern.js

@@ -12,7 +12,7 @@ function signalMultiplicityPattern(signal, options) {
     if (js && js.length > 0) {
         for (let coupling of js) {
             const { multiplicity = '' } = coupling;
-            pattern += (options === null || options === void 0 ? void 0 : options.acsFormat)
+            pattern += options?.acsFormat
                 ? (0, selectACSPattern_1.selectACSPattern)(multiplicity)
                 : multiplicity;
         }

package/lib/signal/signalMultiplicityPattern.js.map

@@ -1 +1 @@
-{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA,oEAAiE;AACjE;;;GAGG;AAEH,SAAgB,yBAAyB,CACvC,MAAmB,EACnB,OAAiC;IAEjC,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,MAAM,EAAE,YAAY,GAAG,EAAE,EAAE,GAAG,QAAQ,CAAC;YACvC,OAAO,IAAI,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,SAAS;gBAC3B,CAAC,CAAC,IAAA,mCAAgB,EAAC,YAAY,CAAC;gBAChC,CAAC,CAAC,YAAY,CAAC;SAClB;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAnBD,8DAmBC"}
+{"version":3,"file":"signalMultiplicityPattern.js","sourceRoot":"","sources":["../../src/signal/signalMultiplicityPattern.ts"],"names":[],"mappings":";;;AACA,oEAAiE;AACjE;;;GAGG;AAEH,SAAgB,yBAAyB,CACvC,MAAmB,EACnB,OAAiC;IAEjC,IAAI,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACnB,IAAI,OAAO,GAAG,EAAE,CAAC;IACjB,IAAI,EAAE,IAAI,EAAE,CAAC,MAAM,GAAG,CAAC,EAAE;QACvB,KAAK,IAAI,QAAQ,IAAI,EAAE,EAAE;YACvB,MAAM,EAAE,YAAY,GAAG,EAAE,EAAE,GAAG,QAAQ,CAAC;YACvC,OAAO,IAAI,OAAO,EAAE,SAAS;gBAC3B,CAAC,CAAC,IAAA,mCAAgB,EAAC,YAAY,CAAC;gBAChC,CAAC,CAAC,YAAY,CAAC;SAClB;KACF;SAAM,IAAI,MAAM,CAAC,KAAK,EAAE;QACvB,OAAO,GAAG,EAAE,CAAC;KACd;SAAM;QACL,OAAO,GAAG,GAAG,CAAC;KACf;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAnBD,8DAmBC"}

package/lib/signals/optimization/getInternalSignals.js

@@ -7,7 +7,6 @@ const defaultParameters_1 = require("./defaultParameters");
 const signalsToPointXY_1 = require("./signalsToPointXY");
 const properties = ['init', 'min', 'max', 'gradientDifference'];
 function getInternalSignals(data, signals, minMaxY, options) {
-    var _a, _b;
     let index = 0;
     let internalSignals = [];
     const { shape: shapeAsOption = { kind: 'gaussian' }, baseline: shiftValue = minMaxY.min, lineWidth = 1, frequency, } = options;
@@ -51,7 +50,7 @@ function getInternalSignals(data, signals, minMaxY, options) {
         for (const jCoupling of signal.js || []) {
             for (const property of properties) {
                 const parameter = 'coupling';
-                let generalParameterValue = (_b = (_a = options === null || options === void 0 ? void 0 : options.parameters) === null || _a === void 0 ? void 0 : _a[parameter]) === null || _b === void 0 ? void 0 : _b[property];
+                let generalParameterValue = options?.parameters?.[parameter]?.[property];
                 if (generalParameterValue) {
                     if (typeof generalParameterValue === 'number') {
                         propertiesValues[property].push(getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline));
@@ -106,15 +105,14 @@ function normalizeSignals(options) {
     });
 }
 function getPropertyValue(options) {
-    var _a, _b, _c, _d;
     const { signal, frequency, parameter, property, minMaxY, shapeFct } = options;
     // check if the property is specified in the signal
-    let propertyValue = (_b = (_a = signal === null || signal === void 0 ? void 0 : signal.parameters) === null || _a === void 0 ? void 0 : _a[parameter]) === null || _b === void 0 ? void 0 : _b[property];
+    let propertyValue = signal?.parameters?.[parameter]?.[property];
     if (propertyValue) {
         return getNormalizedValue(propertyValue, parameter, property, minMaxY, frequency, options.baseline);
     }
     // check if there are some global option, it could be a number or a callback
-    let generalParameterValue = (_d = (_c = options === null || options === void 0 ? void 0 : options.parameters) === null || _c === void 0 ? void 0 : _c[parameter]) === null || _d === void 0 ? void 0 : _d[property];
+    let generalParameterValue = options?.parameters?.[parameter]?.[property];
     if (generalParameterValue) {
         if (typeof generalParameterValue === 'number') {
             return getNormalizedValue(generalParameterValue, parameter, property, minMaxY, frequency, options.baseline);

package/lib/signals/optimization/getInternalSignals.js.map

@@ -1 +1 @@
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+{"version":3,"file":"getInternalSignals.js","sourceRoot":"","sources":["../../../src/signals/optimization/getInternalSignals.ts"],"names":[],"mappings":";;;AACA,qEAA+E;AAC/E,iEAA2D;AAM3D,2DAAwD;AACxD,yDAAsD;AAEtD,MAAM,UAAU,GAAG,CAAC,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,oBAAoB,CAAC,CAAC;AA4ChE,SAAgB,kBAAkB,CAChC,IAAY,EACZ,OAAiB,EACjB,OAA+B,EAC/B,OAAkC;IAElC,IAAI,KAAK,GAAG,CAAC,CAAC;IACd,IAAI,eAAe,GAAG,EAAE,CAAC;IACzB,MAAM,EACJ,KAAK,EAAE,aAAa,GAAG,EAAE,IAAI,EAAE,UAAU,EAAE,EAC3C,QAAQ,EAAE,UAAU,GAAG,OAAO,CAAC,GAAG,EAClC,SAAS,GAAG,CAAC,EACb,SAAS,GACV,GAAG,OAAO,CAAC;IAEZ,MAAM,iBAAiB,GAAG,gBAAgB,CAAC;QACzC,OAAO;QACP,IAAI;QACJ,UAAU;QACV,SAAS;QACT,KAAK,EAAE,OAAO,CAAC,KAAK;KACrB,CAAC,CAAC;IAEH,KAAK,MAAM,MAAM,IAAI,iBAAiB,EAAE;QACtC,MAAM,EAAE,KAAK,GAAG,EAAE,GAAG,aAAa,EAAE,EAAE,GAAG,MAAM,CAAC;QAEhD,IAAI,CAAC,KAAK,CAAC,IAAI,EAAE;YACf,KAAK,CAAC,IAAI,GAAG,SAAS,CAAC;SACxB;QAED,KAAK,CAAC,IAAI,IAAI,SAAS,CAAC;QACxB,MAAM,QAAQ,GAAG,IAAA,oCAAU,EAAC,KAAK,CAAC,CAAC;QAEnC,MAAM,UAAU,GAAgB;YAC9B,OAAO;YACP,WAAW;YACX,GAAG,QAAQ,CAAC,aAAa,EAAE;SAC5B,CAAC;QAEF,MAAM,gBAAgB,GAA6B;YACjD,GAAG,EAAE,EAAE;YACP,GAAG,EAAE,EAAE;YACP,IAAI,EAAE,EAAE;YACR,kBAAkB,EAAE,EAAE;SACvB,CAAC;QAEF,KAAK,MAAM,SAAS,IAAI,UAAU,EAAE;YAClC,KAAK,MAAM,QAAQ,IAAI,UAAU,EAAE;gBACjC,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,gBAAgB,CAAC;oBACf,MAAM;oBACN,SAAS;oBACT,SAAS;oBACT,QAAQ;oBACR,OAAO;oBACP,QAAQ;iBACT,CAAC,CACH,CAAC;aACH;SACF;QAED,KAAK,MAAM,SAAS,IAAI,MAAM,CAAC,EAAE,IAAI,EAAE,EAAE;YACvC,KAAK,MAAM,QAAQ,IAAI,UAAU,EAAE;gBACjC,MAAM,SAAS,GAAG,UAAuB,CAAC;gBAC1C,IAAI,qBAAqB,GACvB,OAAO,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;gBAC/C,IAAI,qBAAqB,EAAE;oBACzB,IAAI,OAAO,qBAAqB,KAAK,QAAQ,EAAE;wBAC7C,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,kBAAkB,CAChB,qBAAqB,EACrB,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CACF,CAAC;qBACH;yBAAM;wBACL,IAAI,KAAK,GAAG,qBAAqB,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC;wBACjD,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAC7B,kBAAkB,CAChB,KAAK,EACL,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CACF,CAAC;qBACH;iBACF;gBACD,IAAI,CAAC,qCAAiB,CAAC,SAAS,CAAC,EAAE;oBACjC,MAAM,IAAI,KAAK,CAAC,4BAA4B,SAAS,EAAE,CAAC,CAAC;iBAC1D;gBACD,MAAM,sBAAsB,GAAG,qCAAiB,CAAC,SAAS,CAAC,CAAC,QAAQ,CAAC,CAAC;gBACtE,gBAAgB,CAAC,QAAQ,CAAC,CAAC,IAAI,CAAC,sBAAsB,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC,CAAC;aACxE;SACF;QAED,MAAM,SAAS,GAAG,KAAK,CAAC;QACxB,MAAM,OAAO,GAAG,SAAS,GAAG,UAAU,CAAC,MAAM,GAAG,CAAC,CAAC;QAElD,MAAM,iBAAiB,GAAG,OAAO,GAAG,CAAC,CAAC;QACtC,MAAM,eAAe,GAAG,iBAAiB,GAAG,MAAM,CAAC,EAAE,CAAC,MAAM,GAAG,CAAC,CAAC;QAEjE,KAAK,IAAI,eAAe,GAAG,SAAS,GAAG,CAAC,CAAC;QACzC,eAAe,CAAC,IAAI,CAAC;YACnB,KAAK,EAAE,KAAwB;YAC/B,QAAQ;YACR,MAAM;YACN,UAAU;YACV,gBAAgB;YAChB,SAAS;YACT,OAAO;YACP,iBAAiB;YACjB,eAAe;SAChB,CAAC,CAAC;KACJ;IAED,OAAO,eAAe,CAAC;AACzB,CAAC;AAzHD,gDAyHC;AAED,SAAS,gBAAgB,CAAmB,OAM3C;IACC,MAAM,EAAE,OAAO,EAAE,IAAI,EAAE,SAAS,EAAE,UAAU,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;IAEhE,MAAM,eAAe,GAAG,CAAC,MAAc,EAAE,EAAE;QACzC,MAAM,KAAK,GAAG,IAAA,mCAAgB,EAAC,CAAC,MAAM,CAAC,EAAE,EAAE,SAAS,EAAE,cAAc,EAAE,CAAC,EAAE,CAAC,CAAC;QAC3E,MAAM,WAAW,GAAG,KAAK,CAAC,MAAM,CAC9B,CAAC,OAAO,EAAE,IAAI,EAAE,EAAE,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,EACxD,KAAK,CAAC,CAAC,CAAC,CACT,CAAC;QACF,MAAM,EAAE,CAAC,EAAE,YAAY,EAAE,GAAG,IAAA,0CAAkB,EAAC,IAAI,EAAE,WAAW,CAAC,CAAC,CAAC,CAAC;QACpE,OAAO,YAAY,CAAC;IACtB,CAAC,CAAC;IAEF,OAAO,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;QAC5B,MAAM,EAAE,SAAS,GAAG,eAAe,CAAC,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC;QACvD,OAAO;YACL,GAAG,MAAM;YACT,EAAE,EAAE,MAAM,CAAC,EAAE,IAAI,EAAE;YACnB,SAAS,EAAE,CAAC,SAAS,GAAG,UAAU,CAAC,GAAG,KAAK;SAC5C,CAAC;IACJ,CAAC,CAAC,CAAC;AACL,CAAC;AAED,SAAS,gBAAgB,CAAC,OASzB;IACC,MAAM,EAAE,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,QAAQ,EAAE,OAAO,EAAE,QAAQ,EAAE,GAAG,OAAO,CAAC;IAE9E,mDAAmD;IACnD,IAAI,aAAa,GAAG,MAAM,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;IAChE,IAAI,aAAa,EAAE;QACjB,OAAO,kBAAkB,CACvB,aAAa,EACb,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;KACH;IAED,4EAA4E;IAE5E,IAAI,qBAAqB,GAAG,OAAO,EAAE,UAAU,EAAE,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;IACzE,IAAI,qBAAqB,EAAE;QACzB,IAAI,OAAO,qBAAqB,KAAK,QAAQ,EAAE;YAC7C,OAAO,kBAAkB,CACvB,qBAAqB,EACrB,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;SACH;aAAM;YACL,IAAI,KAAK,GAAG,qBAAqB,CAAC,MAAM,CAAC,CAAC;YAC1C,OAAO,kBAAkB,CACvB,KAAK,EACL,SAAS,EACT,QAAQ,EACR,OAAO,EACP,SAAS,EACT,OAAO,CAAC,QAAQ,CACjB,CAAC;SACH;KACF;IAED,8CAA8C;IAC9C,IAAI,CAAC,qCAAiB,CAAC,SAAS,CAAC,EAAE;QACjC,MAAM,IAAI,KAAK,CAAC,4BAA4B,SAAS,EAAE,CAAC,CAAC;KAC1D;IACD,MAAM,sBAAsB,GAAG,qCAAiB,CAAC,SAAS,CAAC,CAAC,QAAQ,CAAC,CAAC;IACtE,OAAO,sBAAsB,CAAC,EAAE,MAAM,EAAE,KAAK,EAAE,QAAQ,EAAE,CAAC,CAAC;AAC7D,CAAC;AAED,SAAS,kBAAkB,CACzB,KAAa,EACb,SAAsC,EACtC,QAAgB,EAChB,OAA+B,EAC/B,SAAiB,EACjB,QAAiB;IAEjB,IAAI,SAAS,KAAK,WAAW,EAAE;QAC7B,IAAI,QAAQ,KAAK,oBAAoB,EAAE;YACrC,OAAO,KAAK,CAAC;SACd;aAAM;YACL,OAAO,QAAQ,KAAK,SAAS;gBAC3B,CAAC,CAAC,CAAC,KAAK,GAAG,QAAQ,CAAC,GAAG,OAAO,CAAC,KAAK;gBACpC,CAAC,CAAC,CAAC,KAAK,GAAG,OAAO,CAAC,GAAG,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC;SAC3C;KACF;SAAM,IAAI,SAAS,KAAK,MAAM,EAAE;QAC/B,OAA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package/lib/signals/signalsJoin.js

@@ -1,12 +1,8 @@
 "use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
-};
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.signalsJoin = void 0;
 const uuid_1 = require("@lukeed/uuid");
-const ml_array_mean_1 = __importDefault(require("ml-array-mean"));
-const ml_array_sum_1 = __importDefault(require("ml-array-sum"));
+const ml_spectra_processing_1 = require("ml-spectra-processing");
 const signalJoinCouplings_1 = require("../signal/signalJoinCouplings");
 const localeCompare = (a, b) => a.localeCompare(b);
 const localeCompareJcouplingKeys = (a, b) => {
@@ -61,13 +57,13 @@ function signalsJoin(signals, options = {}) {
                 diaIDs: coupling.diaIDs,
                 pathLength: coupling.pathLength,
                 multiplicity: coupling.multiplicity,
-                coupling: (0, ml_array_mean_1.default)(group.map((item) => item.js[i].coupling)),
+                coupling: (0, ml_spectra_processing_1.xMean)(group.map((item) => item.js[i].coupling)),
             });
         }
         let signal = {
             id: (0, uuid_1.v4)(),
-            nbAtoms: (0, ml_array_sum_1.default)(group.map((item) => item.nbAtoms || 0)),
-            delta: (0, ml_array_mean_1.default)(group.map((item) => item.delta)),
+            nbAtoms: (0, ml_spectra_processing_1.xSum)(group.map((item) => item.nbAtoms || 0)),
+            delta: (0, ml_spectra_processing_1.xMean)(group.map((item) => item.delta)),
             diaIDs: group[0].diaIDs,
             atoms: group.map((item) => item.atoms || []).flat(),
             js,

package/lib/signals/signalsJoin.js.map

@@ -1 +1 @@
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package/lib/signals/signalsToRanges.js.map

@@ -1 +1 @@
-{"version":3,"file":"signalsToRanges.js","sourceRoot":"","sources":["../../src/signals/signalsToRanges.ts"],"names":[],"mappings":";;;AAAA,uCAAgD;AAGhD,kEAA+D;AA2B/D,SAAS,YAAY,CACnB,OAAsB;IAEtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,CAAC,MAAM,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,SAAgB,eAAe,CAC7B,OAAsB,EACtB,UAAkC,EAAE;IAEpC,YAAY,CAAC,OAAO,CAAC,CAAC;IAEtB,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IAEtD,IAAI,OAAO,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;QACrC,QAAQ,EAAE,MAAM;KACjB,CAAC,CAAoB,CAAC;IAEvB,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,EAAE;QACzB,MAAM,MAAM,GAAG,IAAA,iCAAe,EAAC,MAAM,CAAC,QAAQ,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;QAC1E,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC;QAC1B,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACxB,CAAC,CAAC,CAAC;IAEH,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,EAAE,EAAE,CAAC,OAAO,CAAC,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE1E,IAAI,MAAM,GAAG,EAAE,CAAC;IAChB,IAAI,KAAK,GAAG,EAAoB,CAAC;IACjC,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,KAAK,CAAC,IAAI,KAAK,SAAS,IAAI,MAAM,CAAC,IAAI,GAAG,KAAK,CAAC,EAAE,EAAE;YACtD,KAAK,GAAG;gBACN,EAAE,EAAE,IAAA,SAAU,GAAE;gBAChB,IAAI,EAAE,MAAM,CAAC,IAAI;gBACjB,EAAE,EAAE,MAAM,CAAC,EAAE;gBACb,WAAW,EAAE,MAAM,CAAC,QAAQ,CAAC,OAAO;gBACpC,OAAO,EAAE,CAAC,MAAM,CAAC,QAAQ,CAAC;aAC3B,CAAC;YACF,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;SACpB;aAAM;YACL,KAAK,CAAC,WAAW,IAAI,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC;YAC7C,IAAI,MAAM,CAAC,EAAE,GAAG,KAAK,CAAC,EAAE;gBAAE,KAAK,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;YAC/C,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC;SACrC;KACF;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAvCD,0CAuCC"}
+{"version":3,"file":"signalsToRanges.js","sourceRoot":"","sources":["../../src/signals/signalsToRanges.ts"],"names":[],"mappings":";;;AAAA,uCAAgD;AAGhD,kEAA+D;AA2B/D,SAAS,YAAY,CACnB,OAAsB;IAEtB,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,CAAC,MAAM,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,sBAAsB,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,SAAgB,eAAe,CAC7B,OAAsB,EACtB,UAAkC,EAAE;IAEpC,YAAY,CAAC,OAAO,CAAC,CAAC;IAEtB,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,SAAS,GAAG,GAAG,EAAE,GAAG,OAAO,CAAC;IAEtD,IAAI,OAAO,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,CAAC;QACrC,QAAQ,EAAE,MAAM;KACjB,CAAC,CAAoB,CAAC;IAEvB,OAAO,CAAC,OAAO,CAAC,CAAC,MAAM,EAAE,EAAE;QACzB,MAAM,MAAM,GAAG,IAAA,iCAAe,EAAC,MAAM,CAAC,QAAQ,EAAE,EAAE,SAAS,EAAE,SAAS,EAAE,CAAC,CAAC;QAC1E,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC;QAC1B,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;IACxB,CAAC,CAAC,CAAC;IAEH,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,EAAE,EAAE,CAAC,OAAO,CAAC,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE1E,IAAI,MAAM,GAAqB,EAAE,CAAC;IAClC,IAAI,KAAK,GAAG,EAAoB,CAAC;IACjC,KAAK,IAAI,MAAM,IAAI,OAAO,EAAE;QAC1B,IAAI,KAAK,CAAC,IAAI,KAAK,SAAS,IAAI,MAAM,CAAC,IAAI,GAAG,KAAK,CAAC,EAAE,EAAE;YACtD,KAAK,GAAG;gBACN,EAAE,EAAE,IAAA,SAAU,GAAE;gBAChB,IAAI,EAAE,MAAM,CAAC,IAAI;gBACjB,EAAE,EAAE,MAAM,CAAC,EAAE;gBACb,WAAW,EAAE,MAAM,CAAC,QAAQ,CAAC,OAAO;gBACpC,OAAO,EAAE,CAAC,MAAM,CAAC,QAAQ,CAAC;aAC3B,CAAC;YACF,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;SACpB;aAAM;YACL,KAAK,CAAC,WAAW,IAAI,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC;YAC7C,IAAI,MAAM,CAAC,EAAE,GAAG,KAAK,CAAC,EAAE;gBAAE,KAAK,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;YAC/C,KAAK,CAAC,OAAO,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC;SACrC;KACF;IACD,OAAO,MAAM,CAAC;AAChB,CAAC;AAvCD,0CAuCC"}

package/lib/signals/signalsToXY.js

@@ -4,7 +4,6 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
 };
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.signalsToXY = void 0;
-const ml_array_rescale_1 = __importDefault(require("ml-array-rescale"));
 const ml_spectra_processing_1 = require("ml-spectra-processing");
 const signalsToSpinSystem_1 = require("./simulation/signalsToSpinSystem");
 const simulate1D_1 = __importDefault(require("./simulation/simulate1D"));
@@ -51,7 +50,7 @@ function signalsToXY(signals, options = {}) {
         shape,
     });
     if (maxValue) {
-        spectrum.y = (0, ml_array_rescale_1.default)(spectrum.y, { max: maxValue });
+        spectrum.y = (0, ml_spectra_processing_1.xRescale)(spectrum.y, { max: maxValue });
     }
     return spectrum;
 }

package/lib/signals/signalsToXY.js.map

@@ -1 +1 @@
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package/lib/signals/simulation/simulateXYPeaks.js.map

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