nmr-processing - npm Package Compare versions

Comparing version 6.0.8 to 7.0.0

lib-esm/utilities/resurrectRange.js

@@ -9,12 +9,8 @@ import { rangeFromSignal } from './rangeFromSignal';
         return;
-    // before parenthesis there should be only numbers but we will still split with space
-    const beforeParts = split.before
-        .split(/(?: |(?<=[0-9])-)/)
-        .map((part) => Number(part))
-        .filter((part) => !Number.isNaN(part));
-    if (beforeParts.length < 1 || beforeParts.length > 2) {
+    const beforeMatch = /.*?(?<from>-?[0-9.]+)-?(?<to>-?[0-9.]*).*/.exec(split.before);
+    if (!beforeMatch || !beforeMatch.groups)
         return;
-    }
-    const from = beforeParts[0];
-    const to = beforeParts.length > 1 ? beforeParts[1] : beforeParts[0];
+    const isARange = beforeMatch.groups.to !== '';
+    const from = Number(beforeMatch.groups.from);
+    const to = isARange ? Number(beforeMatch.groups.to) : from;
     const insideParts = split.inside.split(/ *, */);
@@ -31,10 +27,10 @@ let signal = { delta: NaN, js: [] };
         if (multiplicity === 'm') {
-            if (beforeParts.length === 1) {
-                // a complex signal
-                signal.delta = beforeParts[0];
+            if (isARange) {
+                // a real range
+                signal.delta = (from + to) / 2;
                 signal.multiplicity = multiplicity;
             }
             else {
-                // a real range
-                signal.delta = (beforeParts[0] + beforeParts[1]) / 2;
+                // a complex signal
+                signal.delta = from;
                 signal.multiplicity = multiplicity;
@@ -45,5 +41,5 @@ }
             // looks like a real multiplicity, s, d, dd, etc..
-            if (beforeParts.length === 1) {
+            if (!isARange) {
                 // a complex signal
-                signal.delta = beforeParts[0];
+                signal.delta = from;
                 signal.multiplicity = multiplicity;
@@ -50,0 +46,0 @@ }

lib-esm/xy/xyAutoPeaksPicking.js

@@ -1,9 +0,10 @@
-import { gsd, joinBroadPeaks, optimizePeaks } from 'ml-gsd';
+import { gsd, optimizePeaks, joinBroadPeaks, appendShapeAndFWHM } from 'ml-gsd';
 import { xyExtract, xNoiseSanPlot, xAbsoluteMedian, } from 'ml-spectra-processing';
 export function xyAutoPeaksPicking(data, options = {}) {
-    const { from, to, noiseLevel, thresholdFactor = 3, minMaxRatio = 0.05, broadRatio = 0.00025, useSanPlot = false, smoothY = true, optimize = false, factorWidth = 4, realTopDetection = true, shape = { kind: 'gaussian' }, optimization = { kind: 'lm' }, broadWidth = 0.25, lookNegative = false, sgOptions = { windowSize: 9, polynomial: 3 }, } = options;
+    const { from, to, noiseLevel, thresholdFactor = 3, minMaxRatio = 0.05, broadRatio = 0.00025, useSanPlot = false, smoothY = true, optimize = false, factorLimits = 4, realTopDetection = true, shape = { kind: 'gaussian' }, optimization = { kind: 'lm' }, broadWidth = 0.25, sgOptions = {}, lookNegative = false, } = options;
+    const { windowSize = 9, polynomial = 3 } = sgOptions;
     if (from !== undefined && to !== undefined) {
         data = xyExtract(data, { zones: [{ from, to }] });
     }
-    if (data.x.length < sgOptions.windowSize)
+    if (data.x.length < windowSize)
         return [];
@@ -15,4 +16,5 @@ const cutOff = getCutOff(data.y, { noiseLevel, useSanPlot, thresholdFactor });
         optimize,
-        factorWidth,
-        sgOptions,
+        factorLimits,
+        maxCriteria: true,
+        sgOptions: { windowSize, polynomial },
         minMaxRatio,
@@ -28,3 +30,4 @@ broadRatio,
         getPeakOptions.noiseLevel = cutOff.negative;
-        peaks.push(...getNegativePeaks(data, getPeakOptions));
+        getPeakOptions.maxCriteria = false;
+        peaks.push(...getPeakList(data, getPeakOptions));
     }
@@ -34,6 +37,6 @@ return peaks;
 function getPeakList(data, options) {
-    const { shape, broadWidth, optimize, factorWidth, sgOptions, minMaxRatio, broadRatio, noiseLevel, smoothY, optimization, realTopDetection, } = options;
+    const { shape, broadWidth, optimize, maxCriteria, factorLimits, sgOptions, minMaxRatio, broadRatio, noiseLevel, smoothY, optimization, realTopDetection, } = options;
     let peakList = gsd(data, {
-        shape,
         sgOptions,
+        maxCriteria,
         minMaxRatio,
@@ -45,3 +48,3 @@ noiseLevel,
     if (broadWidth) {
-        peakList = joinBroadPeaks(data, peakList, {
+        peakList = joinBroadPeaks(peakList, {
             broadRatio,
@@ -54,22 +57,10 @@ broadWidth,
     if (optimize) {
-        peakList = optimizePeaks(data, peakList, {
+        return optimizePeaks(data, peakList, {
             shape,
-            factorWidth,
+            factorLimits,
             optimization,
         });
     }
-    return peakList;
+    return appendShapeAndFWHM(peakList, { shape });
 }
-function getNegativePeaks(data, options) {
-    let { x, y } = data;
-    let negativeDataY = new Float64Array(data.y.length);
-    for (let i = 0; i < negativeDataY.length; i++) {
-        negativeDataY[i] = -1 * y[i];
-    }
-    let peakList = getPeakList({ x, y: negativeDataY }, options);
-    for (const peak of peakList) {
-        peak.y *= -1;
-    }
-    return peakList;
-}
 function getCutOff(data, options) {
@@ -76,0 +67,0 @@ const { noiseLevel, useSanPlot, thresholdFactor } = options;

lib/peaks/NMRPeak1D.d.ts

@@ -1,4 +0,7 @@
-import type { Peak1D } from 'ml-gsd';
-export interface NMRPeak1D extends Peak1D {
+import type { PeakXYWidth } from 'cheminfo-types';
+import type { Shape1D } from 'ml-peak-shape-generator';
+export interface NMRPeak1D extends PeakXYWidth {
     kind?: string;
+    fwhm?: number;
+    shape?: Shape1D;
 }

lib/peaks/peaksToRanges.d.ts

@@ -57,5 +57,7 @@ import type { DataXY } from 'cheminfo-types';
 }
+declare type NMRPeak1DIntern = Omit<NMRPeak1D, 'fwhm' | 'shape'>;
 /**
  * This function clustering peaks and calculate the integration value for each range from the peak list returned from extractPeaks function.
  */
-export declare function peaksToRanges(data: DataXY, peakList: NMRPeak1D[], options?: OptionsPeaksToRanges): NMRRange[];
+export declare function peaksToRanges(data: DataXY, peakList: NMRPeak1DIntern[], options?: OptionsPeaksToRanges): NMRRange[];
+export {};

lib/peaks/util/jAnalyzer.d.ts

@@ -13,3 +13,3 @@ import type { MakeMandatory } from '../../utilities/MakeMandatory';
 }
-export declare type Peak1DIntern = Omit<NMRPeak1D, 'y'> & {
+export declare type Peak1DIntern = Omit<NMRPeak1D, 'y' | 'shape' | 'fwhm'> & {
     intensity: number;
@@ -16,0 +16,0 @@ };

lib/prediction/utils/getFilteredIDiaIDs.d.ts

@@ -1,2 +0,2 @@
-/// <reference path="../../../src/openchemlib.d.ts" />
+/// <reference path="../../../src/openchemlib-utils.d.ts" />
 import type { Molecule } from 'openchemlib';
@@ -3,0 +3,0 @@ import type { GroupDiastereotopicAtomIDs } from 'openchemlib-utils';

lib/utilities/resurrectRange.js

@@ -12,12 +12,8 @@ "use strict";
         return;
-    // before parenthesis there should be only numbers but we will still split with space
-    const beforeParts = split.before
-        .split(/(?: |(?<=[0-9])-)/)
-        .map((part) => Number(part))
-        .filter((part) => !Number.isNaN(part));
-    if (beforeParts.length < 1 || beforeParts.length > 2) {
+    const beforeMatch = /.*?(?<from>-?[0-9.]+)-?(?<to>-?[0-9.]*).*/.exec(split.before);
+    if (!beforeMatch || !beforeMatch.groups)
         return;
-    }
-    const from = beforeParts[0];
-    const to = beforeParts.length > 1 ? beforeParts[1] : beforeParts[0];
+    const isARange = beforeMatch.groups.to !== '';
+    const from = Number(beforeMatch.groups.from);
+    const to = isARange ? Number(beforeMatch.groups.to) : from;
     const insideParts = split.inside.split(/ *, */);
@@ -34,10 +30,10 @@ let signal = { delta: NaN, js: [] };
         if (multiplicity === 'm') {
-            if (beforeParts.length === 1) {
-                // a complex signal
-                signal.delta = beforeParts[0];
+            if (isARange) {
+                // a real range
+                signal.delta = (from + to) / 2;
                 signal.multiplicity = multiplicity;
             }
             else {
-                // a real range
-                signal.delta = (beforeParts[0] + beforeParts[1]) / 2;
+                // a complex signal
+                signal.delta = from;
                 signal.multiplicity = multiplicity;
@@ -48,5 +44,5 @@ }
             // looks like a real multiplicity, s, d, dd, etc..
-            if (beforeParts.length === 1) {
+            if (!isARange) {
                 // a complex signal
-                signal.delta = beforeParts[0];
+                signal.delta = from;
                 signal.multiplicity = multiplicity;
@@ -53,0 +49,0 @@ }

lib/xy/xyAutoPeaksPicking.d.ts

 import { DataXY } from 'cheminfo-types';
-import type { Peak1D, GSDOptions, OptimizePeaksOptions, JoinBroadPeaksOptions } from 'ml-gsd';
-export interface IGetPeakListOptions extends GSDOptions, OptimizePeaksOptions, JoinBroadPeaksOptions {
+import type { GSDOptions, OptimizePeaksOptions, JoinBroadPeaksOptions } from 'ml-gsd';
+import { NMRPeak1D } from '..';
+export interface GetPeakListOptions extends GSDOptions, OptimizePeaksOptions, JoinBroadPeaksOptions {
     /**
@@ -10,3 +11,3 @@ * If it is true, the peaks parameters will be optimized.
 }
-export interface OptionsXYAutoPeaksPicking extends Partial<IGetPeakListOptions> {
+export interface OptionsXYAutoPeaksPicking extends Partial<GetPeakListOptions> {
     /**
@@ -36,2 +37,2 @@ * Low limit value in the x axis to extract a sub set of points from the input data.
 }
-export declare function xyAutoPeaksPicking(data: DataXY, options?: OptionsXYAutoPeaksPicking): Peak1D[];
+export declare function xyAutoPeaksPicking(data: DataXY, options?: OptionsXYAutoPeaksPicking): NMRPeak1D[];

lib/xy/xyAutoPeaksPicking.js

@@ -7,7 +7,8 @@ "use strict";
 function xyAutoPeaksPicking(data, options = {}) {
-    const { from, to, noiseLevel, thresholdFactor = 3, minMaxRatio = 0.05, broadRatio = 0.00025, useSanPlot = false, smoothY = true, optimize = false, factorWidth = 4, realTopDetection = true, shape = { kind: 'gaussian' }, optimization = { kind: 'lm' }, broadWidth = 0.25, lookNegative = false, sgOptions = { windowSize: 9, polynomial: 3 }, } = options;
+    const { from, to, noiseLevel, thresholdFactor = 3, minMaxRatio = 0.05, broadRatio = 0.00025, useSanPlot = false, smoothY = true, optimize = false, factorLimits = 4, realTopDetection = true, shape = { kind: 'gaussian' }, optimization = { kind: 'lm' }, broadWidth = 0.25, sgOptions = {}, lookNegative = false, } = options;
+    const { windowSize = 9, polynomial = 3 } = sgOptions;
     if (from !== undefined && to !== undefined) {
         data = (0, ml_spectra_processing_1.xyExtract)(data, { zones: [{ from, to }] });
     }
-    if (data.x.length < sgOptions.windowSize)
+    if (data.x.length < windowSize)
         return [];
@@ -19,4 +20,5 @@ const cutOff = getCutOff(data.y, { noiseLevel, useSanPlot, thresholdFactor });
         optimize,
-        factorWidth,
-        sgOptions,
+        factorLimits,
+        maxCriteria: true,
+        sgOptions: { windowSize, polynomial },
         minMaxRatio,
@@ -32,3 +34,4 @@ broadRatio,
         getPeakOptions.noiseLevel = cutOff.negative;
-        peaks.push(...getNegativePeaks(data, getPeakOptions));
+        getPeakOptions.maxCriteria = false;
+        peaks.push(...getPeakList(data, getPeakOptions));
     }
@@ -39,6 +42,6 @@ return peaks;
 function getPeakList(data, options) {
-    const { shape, broadWidth, optimize, factorWidth, sgOptions, minMaxRatio, broadRatio, noiseLevel, smoothY, optimization, realTopDetection, } = options;
+    const { shape, broadWidth, optimize, maxCriteria, factorLimits, sgOptions, minMaxRatio, broadRatio, noiseLevel, smoothY, optimization, realTopDetection, } = options;
     let peakList = (0, ml_gsd_1.gsd)(data, {
-        shape,
         sgOptions,
+        maxCriteria,
         minMaxRatio,
@@ -50,3 +53,3 @@ noiseLevel,
     if (broadWidth) {
-        peakList = (0, ml_gsd_1.joinBroadPeaks)(data, peakList, {
+        peakList = (0, ml_gsd_1.joinBroadPeaks)(peakList, {
             broadRatio,
@@ -59,22 +62,10 @@ broadWidth,
     if (optimize) {
-        peakList = (0, ml_gsd_1.optimizePeaks)(data, peakList, {
+        return (0, ml_gsd_1.optimizePeaks)(data, peakList, {
             shape,
-            factorWidth,
+            factorLimits,
             optimization,
         });
     }
-    return peakList;
+    return (0, ml_gsd_1.appendShapeAndFWHM)(peakList, { shape });
 }
-function getNegativePeaks(data, options) {
-    let { x, y } = data;
-    let negativeDataY = new Float64Array(data.y.length);
-    for (let i = 0; i < negativeDataY.length; i++) {
-        negativeDataY[i] = -1 * y[i];
-    }
-    let peakList = getPeakList({ x, y: negativeDataY }, options);
-    for (const peak of peakList) {
-        peak.y *= -1;
-    }
-    return peakList;
-}
 function getCutOff(data, options) {
@@ -81,0 +72,0 @@ const { noiseLevel, useSanPlot, thresholdFactor } = options;

package.json

 {
   "name": "nmr-processing",
-  "version": "6.0.8",
+  "version": "7.0.0",
   "description": "Pure functions allowing to process NMR spectra.",
@@ -43,3 +43,3 @@ "main": "./lib/index.js",
     "cheminfo-build": "^1.1.11",
-    "cheminfo-types": "^0.9.1",
+    "cheminfo-types": "^0.11.1",
     "eslint": "^8.8.0",
@@ -59,3 +59,2 @@ "eslint-config-cheminfo-typescript": "^10.3.0",
   "dependencies": {
-    "assign-deep": "^1.0.1",
     "binary-search": "^1.3.6",
@@ -69,3 +68,3 @@ "cross-fetch": "^3.1.5",
     "ml-array-sum": "^1.1.6",
-    "ml-gsd": "^9.1.0",
+    "ml-gsd": "^10.1.1",
     "ml-hclust": "^3.1.0",
@@ -82,4 +81,4 @@ "ml-levenberg-marquardt": "^4.0.0",
     "openchemlib-utils": "^1.8.0",
-    "spectrum-generator": "^6.0.3"
+    "spectrum-generator": "^6.0.4"
   }
 }

src/peaks/NMRPeak1D.ts

@@ -1,5 +0,8 @@
-import type { Peak1D } from 'ml-gsd';
+import type { PeakXYWidth } from 'cheminfo-types';
+import type { Shape1D } from 'ml-peak-shape-generator';
 
-export interface NMRPeak1D extends Peak1D {
+export interface NMRPeak1D extends PeakXYWidth {
   kind?: string;
+  fwhm?: number;
+  shape?: Shape1D;
 }

src/peaks/peaksToRanges.ts

@@ -73,2 +73,4 @@ import type { DataXY } from 'cheminfo-types';
 
+type NMRPeak1DIntern = Omit<NMRPeak1D, 'fwhm' | 'shape'>;
+
 function checkSignalAfterCompilePattern(
@@ -87,3 +89,3 @@ signal: SignalIntern,
 const assignSignal = (
-  peak: NMRPeak1D,
+  peak: NMRPeak1DIntern,
   frequency: number,
@@ -120,3 +122,3 @@ nucleus: string,
   data: DataXY,
-  peakList: NMRPeak1D[],
+  peakList: NMRPeak1DIntern[],
   options: OptionsPeaksToRanges = {},
@@ -286,3 +288,3 @@ ): NMRRange[] {
   data: DataXY,
-  peakList: NMRPeak1D[],
+  peakList: NMRPeak1DIntern[],
   options: OptionsDetectSignals = {},
@@ -289,0 +291,0 @@ ): SignalIntern[] {

src/peaks/util/jAnalyzer.ts

@@ -32,3 +32,5 @@ import type { MakeMandatory } from '../../utilities/MakeMandatory';
 
-export type Peak1DIntern = Omit<NMRPeak1D, 'y'> & { intensity: number };
+export type Peak1DIntern = Omit<NMRPeak1D, 'y' | 'shape' | 'fwhm'> & {
+  intensity: number;
+};
 
@@ -35,0 +37,0 @@ export interface SignalIntern {

src/utilities/resurrectRange.ts

@@ -12,13 +12,13 @@ import type { NMRSignal1D } from '../signals/NMRSignal1D';
   if (!split.before) return;
-  // before parenthesis there should be only numbers but we will still split with space
-  const beforeParts = split.before
-    .split(/(?: |(?<=[0-9])-)/)
-    .map((part: string) => Number(part))
-    .filter((part: number) => !Number.isNaN(part));
-  if (beforeParts.length < 1 || beforeParts.length > 2) {
-    return;
-  }
-  const from = beforeParts[0];
-  const to = beforeParts.length > 1 ? beforeParts[1] : beforeParts[0];
 
+  const beforeMatch = /.*?(?<from>-?[0-9.]+)-?(?<to>-?[0-9.]*).*/.exec(
+    split.before,
+  );
+
+  if (!beforeMatch || !beforeMatch.groups) return;
+
+  const isARange = beforeMatch.groups.to !== '';
+
+  const from = Number(beforeMatch.groups.from);
+  const to = isARange ? Number(beforeMatch.groups.to) : from;
   const insideParts = split.inside.split(/ *, */);
@@ -41,9 +41,9 @@ let signal: NMRSignal1D = { delta: NaN, js: [] };
     if (multiplicity === 'm') {
-      if (beforeParts.length === 1) {
-        // a complex signal
-        signal.delta = beforeParts[0];
+      if (isARange) {
+        // a real range
+        signal.delta = (from + to) / 2;
         signal.multiplicity = multiplicity;
       } else {
-        // a real range
-        signal.delta = (beforeParts[0] + beforeParts[1]) / 2;
+        // a complex signal
+        signal.delta = from;
         signal.multiplicity = multiplicity;
@@ -53,5 +53,5 @@ }
       // looks like a real multiplicity, s, d, dd, etc..
-      if (beforeParts.length === 1) {
+      if (!isARange) {
         // a complex signal
-        signal.delta = beforeParts[0];
+        signal.delta = from;
         signal.multiplicity = multiplicity;
@@ -58,0 +58,0 @@ }

src/xy/xyAutoPeaksPicking.ts

 import { DataXY } from 'cheminfo-types';
-import { gsd, joinBroadPeaks, optimizePeaks } from 'ml-gsd';
+import { gsd, optimizePeaks, joinBroadPeaks, appendShapeAndFWHM } from 'ml-gsd';
 import type {
-  Peak1D,
   GSDOptions,
@@ -15,2 +14,4 @@ OptimizePeaksOptions,
 
+import { NMRPeak1D } from '..';
+
 /**
@@ -29,3 +30,3 @@ * Implementation of the peak picking method described by Cobas in:
 
-export interface IGetPeakListOptions
+export interface GetPeakListOptions
   extends GSDOptions,
@@ -40,5 +41,3 @@ OptimizePeaksOptions,
 }
-
-export interface OptionsXYAutoPeaksPicking
-  extends Partial<IGetPeakListOptions> {
+export interface OptionsXYAutoPeaksPicking extends Partial<GetPeakListOptions> {
   /**
@@ -72,3 +71,3 @@ * Low limit value in the x axis to extract a sub set of points from the input data.
   options: OptionsXYAutoPeaksPicking = {},
-): Peak1D[] {
+): NMRPeak1D[] {
   const {
@@ -84,3 +83,3 @@ from,
     optimize = false,
-    factorWidth = 4,
+    factorLimits = 4,
     realTopDetection = true,
@@ -90,19 +89,22 @@ shape = { kind: 'gaussian' },
     broadWidth = 0.25,
+    sgOptions = {},
     lookNegative = false,
-    sgOptions = { windowSize: 9, polynomial: 3 },
   } = options;
 
+  const { windowSize = 9, polynomial = 3 } = sgOptions;
+
   if (from !== undefined && to !== undefined) {
     data = xyExtract(data, { zones: [{ from, to }] });
   }
-  if (data.x.length < sgOptions.windowSize) return [];
+  if (data.x.length < windowSize) return [];
 
   const cutOff = getCutOff(data.y, { noiseLevel, useSanPlot, thresholdFactor });
 
-  let getPeakOptions: IGetPeakListOptions = {
+  let getPeakOptions: GetPeakListOptions = {
     shape,
     broadWidth,
     optimize,
-    factorWidth,
-    sgOptions,
+    factorLimits,
+    maxCriteria: true,
+    sgOptions: { windowSize, polynomial },
     minMaxRatio,
@@ -120,3 +122,4 @@ broadRatio,
     getPeakOptions.noiseLevel = cutOff.negative;
-    peaks.push(...getNegativePeaks(data, getPeakOptions));
+    getPeakOptions.maxCriteria = false;
+    peaks.push(...getPeakList(data, getPeakOptions));
   }
@@ -126,3 +129,3 @@ return peaks;
 
-function getPeakList(data: DataXY, options: IGetPeakListOptions) {
+function getPeakList(data: DataXY, options: GetPeakListOptions) {
   const {
@@ -132,3 +135,4 @@ shape,
     optimize,
-    factorWidth,
+    maxCriteria,
+    factorLimits,
     sgOptions,
@@ -144,4 +148,4 @@ minMaxRatio,
   let peakList = gsd(data, {
-    shape,
     sgOptions,
+    maxCriteria,
     minMaxRatio,
@@ -154,3 +158,3 @@ noiseLevel,
   if (broadWidth) {
-    peakList = joinBroadPeaks(data, peakList, {
+    peakList = joinBroadPeaks(peakList, {
       broadRatio,
@@ -164,5 +168,5 @@ broadWidth,
   if (optimize) {
-    peakList = optimizePeaks(data, peakList, {
+    return optimizePeaks(data, peakList, {
       shape,
-      factorWidth,
+      factorLimits,
       optimization,
@@ -172,20 +176,5 @@ });
 
-  return peakList;
+  return appendShapeAndFWHM(peakList, { shape });
 }
 
-function getNegativePeaks(data: DataXY, options: IGetPeakListOptions) {
-  let { x, y } = data;
-  let negativeDataY = new Float64Array(data.y.length);
-  for (let i = 0; i < negativeDataY.length; i++) {
-    negativeDataY[i] = -1 * y[i];
-  }
-
-  let peakList = getPeakList({ x, y: negativeDataY }, options);
-
-  for (const peak of peakList) {
-    peak.y *= -1;
-  }
-  return peakList;
-}
-
 function getCutOff(data: number[] | Float64Array, options: OptionsGetCutOff) {
@@ -192,0 +181,0 @@ const { noiseLevel, useSanPlot, thresholdFactor } = options;

New alerts

License Policy Violation

License

This package is not allowed per your license policy. Review the package's license to ensure compliance.

Found 1 instance in 1 package

Fixed alerts

License Policy Violation

License

This package is not allowed per your license policy. Review the package's license to ensure compliance.

Found 1 instance in 1 package

Improved metrics

Dependency count

21

decreased by-4.55%

Worsened metrics

Total package byte prevSize

3985791

decreased by-0.05%

Lines of code

111418

decreased by-0.02%

Dependency changes

• + Addedml-gsd@10.2.0(transitive)

• + Addedml-savitzky-golay-generalized@4.0.1(transitive)

• + Addedml-spectra-fitting@3.0.4(transitive)

• + Addedml-spectra-processing@11.17.0(transitive)

• - Removedassign-deep@^1.0.1

• - Removedassign-deep@1.0.1(transitive)

• - Removedassign-symbols@2.0.2(transitive)

• - Removedml-array-median@1.1.6(transitive)

• - Removedml-array-standard-deviation@1.1.8(transitive)

• - Removedml-array-variance@1.1.8(transitive)

• - Removedml-gsd@9.1.0(transitive)

• - Removedml-savitzky-golay-generalized@2.0.3(transitive)

• - Removedml-spectra-fitting@3.1.0(transitive)

• - Removedml-spectra-processing@8.3.1(transitive)

• Updatedml-gsd@^10.1.1

• Updatedspectrum-generator@^6.0.4