nmr-processing 9.5.1 → 9.5.2-pre.1686022430

package/lib-esm/xyz/xyzJResAnalyzer.js

@@ -35,40 +35,48 @@ function compilePattern(signals, options) {
         dy: signals[0].y.resolution,
     };
     const defaultWidth = 0.02 * observedFrequencies[0];
-    const newSignals = parse(stringify(signals));
+    const newSignals = [];
     //adapt to 1D jAnalyzer
-    for (const signal of newSignals) {
-        let peaks = signal.peaks;
-        signal.nbPeaks = signal.peaks.length;
-        signal.multiplicity = '';
-        signal.pattern = '';
-        signal.delta1 = signal.shiftY;
-        signal.observe = observedFrequencies[1];
-        signal.integralData = {
-            from: Number.MAX_SAFE_INTEGER,
-            to: Number.MIN_SAFE_INTEGER,
-        };
-        for (const peak of peaks) {
-            if (!peak.width)
-                peak.width = defaultWidth;
+    for (const signal of signals) {
+        let peaks = [];
+        for (const peak of signal.peaks || []) {
+            peaks.push({
+                ...peak,
+                width: defaultWidth,
+            });
         }
         peaks.sort((a, b) => a.y - b.y);
+        newSignals.push({
+            nbPeaks: peaks.length,
+            multiplicity: '',
+            pattern: '',
+            startX: peaks[0].y - defaultWidth,
+            stopX: peaks[peaks.length - 1].y + defaultWidth,
+            delta: signal.y.delta,
+            observe: observedFrequencies[1],
+            integralData: {
+                value: -1,
+                from: Number.MAX_SAFE_INTEGER,
+                to: Number.MIN_SAFE_INTEGER,
+            },
+            peaks,
+        });
     }
     for (let i = 0; i < signals.length; i++) {
-        jAnalyzer.compilePattern(newSignals[i], jAnalyzerOptions);
-        if (newSignals[i].maskPattern &&
-            newSignals[i].multiplicity !== 'm' &&
-            newSignals[i].multiplicity !== '') {
+        const signal = jAnalyzer.compilePattern(newSignals[i], jAnalyzerOptions);
+        if (signal.maskPattern &&
+            signal.multiplicity !== 'm' &&
+            signal.multiplicity !== '') {
             // Create a new signal with the removed peaks
             let peaksO = [];
-            for (let j = newSignals[i].maskPattern.length - 1; j >= 0; j--) {
-                if (newSignals[i].maskPattern[j] === false) {
-                    let peakR = newSignals[i].peaks.splice(j, 1)[0];
+            for (let j = signal.maskPattern.length - 1; j >= 0; j--) {
+                if (!signal.maskPattern[j]) {
+                    let peakR = signal.peaks.splice(j, 1)[0];
                     peaksO.push(peakR);
-                    newSignals[i].mask.splice(j, 1);
-                    newSignals[i].mask2.splice(j, 1);
-                    newSignals[i].maskPattern.splice(j, 1);
-                    newSignals[i].nbPeaks--;
+                    signal.mask.splice(j, 1);
+                    signal.mask2?.splice(j, 1);
+                    signal.maskPattern.splice(j, 1);
+                    signal.nbPeaks--;
                 }
             }
             if (peaksO.length > 0) {

package/lib-esm/xyz/xyzJResAnalyzer.js.map

@@ -1 +1 @@
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+{"version":3,"file":"xyzJResAnalyzer.js","sourceRoot":"","sources":["../../src/xyz/xyzJResAnalyzer.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,IAAI,UAAU,EAAE,MAAM,cAAc,CAAC;AAGhD,OAAO,gBAAgB,MAAM,sBAAsB,CAAC;AAEpD,OAAO,EAAE,aAAa,EAAE,MAAM,6BAA6B,CAAC;AAO5D,OAAO,SAAS,MAAM,4BAA4B,CAAC;AAInD,OAAO,EAAE,WAAW,EAAE,MAAM,mBAAmB,CAAC;AAEhD,MAAM,EAAE,KAAK,EAAE,SAAS,EAAE,GAAG,IAAI,CAAC;AAsClC,MAAM,UAAU,eAAe,CAC7B,OAAsB,EACtB,UAAkC,EAAE;IAEpC,IAAI,EACF,SAAS,GAAG,CAAC,EACb,QAAQ,GAAG,KAAK,EAChB,sBAAsB,GAAG,IAAI,EAC7B,UAAU,GAAG,CAAC,EAAE,EAAE,GAAG,CAAC,EACtB,MAAM,GAAG,CAAC,IAAI,EAAE,IAAI,CAAC,EACrB,mBAAmB,GAAG,CAAC,GAAG,EAAE,GAAG,CAAC,EAChC,SAAS,GAAG;QACV,QAAQ,EAAE,EAAE,KAAK,EAAE,GAAG,EAAE,SAAS,EAAE,GAAG,EAAE;KACzC,GACF,GAAG,OAAO,CAAC;IACZ,IAAI,eAAe,GAAG,cAAc,CAAC,OAAO,EAAE;QAC5C,mBAAmB;QACnB,UAAU;QACV,MAAM;QACN,SAAS;KACV,CAAC,CAAC;IACH,wDAAwD;IACxD,IAAI,SAAS,GAAU,EAAE,CAAC;IAC1B,KAAK,MAAM,UAAU,IAAI,eAAe,EAAE;QACxC,IAAI,KAAK,GAAG,UAAU,CAAC,CAAC,CAAC,KAAK,CAAC;QAC/B,IAAI,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,SAAS,CAAC,GAAG,sBAAsB;YAAE,SAAS;QACnE,SAAS,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;KAC5B;IAED,SAAS,GAAG,aAAa,CAAC,SAAS,CAAC,CAAC;IAErC,OAAO,QAAQ,CAAC,CAAC,CAAC,WAAW,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;AACvD,CAAC;AAED,SAAS,cAAc,CACrB,OAAsB,EACtB,OAAuC;IAEvC,IAAI,EACF,mBAAmB,EACnB,UAAU,EACV,MAAM,EACN,SAAS,EAAE,gBAAgB,GAC5B,GAAG,OAAO,CAAC;IAEZ,IAAI,aAAa,GAAG;QAClB,mBAAmB;QACnB,UAAU;QACV,MAAM;QACN,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,UAAU;QAC3B,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,UAAU;KAC5B,CAAC;IAEF,MAAM,YAAY,GAAG,IAAI,GAAG,mBAAmB,CAAC,CAAC,CAAC,CAAC;IACnD,MAAM,UAAU,GAA0B,EAAE,CAAC;IAC7C,uBAAuB;IACvB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,IAAI,KAAK,GAAkB,EAAE,CAAC;QAC9B,KAAK,MAAM,IAAI,IAAI,MAAM,CAAC,KAAK,IAAI,EAAE,EAAE;YACrC,KAAK,CAAC,IAAI,CAAC;gBACT,GAAG,IAAI;gBACP,KAAK,EAAE,YAAY;aACpB,CAAC,CAAC;SACJ;QACD,KAAK,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAChC,UAAU,CAAC,IAAI,CAAC;YACd,OAAO,EAAE,KAAK,CAAC,MAAM;YACrB,YAAY,EAAE,EAAE;YAChB,OAAO,EAAE,EAAE;YACX,MAAM,EAAE,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY;YACjC,KAAK,EAAE,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,YAAY;YAC/C,KAAK,EAAE,MAAM,CAAC,CAAC,CAAC,KAAK;YACrB,OAAO,EAAE,mBAAmB,CAAC,CAAC,CAAC;YAC/B,YAAY,EAAE;gBACZ,KAAK,EAAE,CAAC,CAAC;gBACT,IAAI,EAAE,MAAM,CAAC,gBAAgB;gBAC7B,EAAE,EAAE,MAAM,CAAC,gBAAgB;aAC5B;YACD,KAAK;SACN,CAAC,CAAC;KACJ;IAED,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACvC,MAAM,MAAM,GAAG,SAAS,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,gBAAgB,CAAC,CAAC;QAEzE,IACE,MAAM,CAAC,WAAW;YAClB,MAAM,CAAC,YAAY,KAAK,GAAG;YAC3B,MAAM,CAAC,YAAY,KAAK,EAAE,EAC1B;YACA,6CAA6C;YAC7C,IAAI,MAAM,GAAmB,EAAE,CAAC;YAChC,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,WAAW,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;gBACvD,IAAI,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC,CAAC,EAAE;oBAC1B,IAAI,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;oBACzC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;oBACnB,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;oBACzB,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;oBAC3B,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;oBAChC,MAAM,CAAC,OAAO,EAAE,CAAC;iBAClB;aACF;YACD,IAAI,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE;gBACrB,MAAM,CAAC,OAAO,EAAE,CAAC;gBACjB,IAAI,SAAS,GAAG,eAAe,CAAC,MAAM,EAAE,aAAa,CAAC,CAAC;gBAEvD,KAAK,MAAM,MAAM,IAAI,SAAS,EAAE;oBAC9B,UAAU,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;iBACzB;aACF;SACF;KACF;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE;QACpB,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC;IAC/B,CAAC,CAAC,CAAC;IAEH,OAAO,OAAO,CAAC;AACjB,CAAC;AAED,SAAS,eAAe,CAAC,UAA0B,EAAE,OAAY;IAC/D,IAAI,EAAE,mBAAmB,EAAE,UAAU,EAAE,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC;IAElE,MAAM,KAAK,GAA6B,KAAK,CAAC,SAAS,CAAC,UAAU,CAAC,CAAC,CAAC;IAErE,IAAI,CAAC,QAAQ,EAAE,QAAQ,CAAC,GAAG,MAAM,CAAC;IAClC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,GAAG,UAAU,CAAC;IAC1C,IAAI,CAAC,iBAAiB,EAAE,iBAAiB,CAAC,GAAG,mBAAmB,CAAC;IAEjE,0GAA0G;IAC1G,kBAAkB;IAClB,IAAI,YAAY,GAAiB,EAAE,CAAC;IACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACrC,IACE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,iBAAiB,GAAG,UAAU;gBAClE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,iBAAiB,GAAG,UAAU,EAClE;gBACA,yEAAyE;gBACzE,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aACtB;iBAAM;gBACL,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aACtB;SACF;KACF;IACD,IAAI,QAAQ,GAAG,gBAAgB,CAAC,YAAY,CAAC,CAAC;IAE9C,IAAI,OAAO,GAAmB,EAAE,CAAC;IACjC,IAAI,QAAQ,EAAE;QACZ,KAAK,IAAI,OAAO,IAAI,QAAQ,EAAE;YAC5B,IAAI,MAAM,GAAQ;gBAChB,EAAE,EAAE,UAAU,EAAE;gBAChB,QAAQ;gBACR,QAAQ;gBACR,YAAY,EAAE;oBACZ,IAAI,EAAE,MAAM,CAAC,gBAAgB;oBAC7B,EAAE,EAAE,MAAM,CAAC,gBAAgB;iBAC5B;gBACD,OAAO,EAAE,CAAC;gBACV,YAAY,EAAE,EAAE;gBAChB,OAAO,EAAE,EAAE;gBACX,OAAO,EAAE,iBAAiB;gBAC1B,WAAW,EAAE,EAAE;gBACf,WAAW,EAAE,EAAE;gBACf,MAAM,EAAE,CAAC;gBACT,MAAM,EAA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package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "nmr-processing",
-  "version": "9.5.1",
+  "version": "9.5.2-pre.1686022430",
   "description": "Pure functions allowing to process NMR spectra.",
   "main": "./lib/index.js",
   "module": "./lib-esm/index.js",
@@ -55,23 +55,26 @@
   },
   "dependencies": {
     "@lukeed/uuid": "^2.0.1",
+    "@types/lodash": "^4.14.195",
     "binary-search": "^1.3.6",
+    "brukerconverter": "^6.1.2",
     "cross-fetch": "^3.1.5",
     "form-data": "^4.0.0",
     "gyromagnetic-ratio": "^1.0.0",
     "is-any-array": "^2.0.0",
     "linear-sum-assignment": "^1.0.5",
-    "ml-array-mean": "^1.1.6",
-    "ml-array-rescale": "^1.3.7",
-    "ml-array-sum": "^1.1.6",
+    "lodash": "^4.17.21",
+    "ml-airpls": "^1.0.1",
+    "ml-baseline-correction-regression": "^1.0.1",
     "ml-direct": "^0.1.3",
-    "ml-gsd": "^12.1.3",
+    "ml-gsd": "^12.1.2",
     "ml-hclust": "^3.1.0",
     "ml-levenberg-marquardt": "^4.1.0",
     "ml-matrix": "^6.10.4",
     "ml-matrix-convolution": "^1.0.0",
     "ml-matrix-peaks-finder": "^1.0.0",
     "ml-peak-shape-generator": "^4.1.2",
+    "ml-signal-processing": "^1.0.3",
     "ml-simple-clustering": "^0.1.0",
     "ml-sparse-matrix": "^2.1.0",
     "ml-spectra-processing": "^12.4.0",

package/src/apodization/apodization.ts

@@ -10,16 +10,29 @@ export interface DataReIm {
   im: DoubleArray;
 }
 
-interface ApodizationOptions {
+export interface ApodizationFilterOptions {
   /**
    * number of points at the end of the shape to apply the window function inverted
    * @default 0
    */
   pointsToShift?: number;
-  compose: ShapeOptions;
+  compose?: ShapeOptions;
+  /**
+   * apply the window data to input data
+   * @default true
+   */
+  apply?: boolean;
 }
-export function apodization(data: DataReIm, options: ApodizationOptions) {
-  const { compose: composeOptions, pointsToShift } = options;
+export function apodization(
+  data: DataReIm,
+  options: ApodizationFilterOptions = {},
+) {
+  const { compose: composeOptions, pointsToShift, apply = true } = options;
+
+  if (!composeOptions) {
+    return { ...data, windowData: new Float64Array(data.re.length).fill(1) };
+  }
+
   const windowData = compose(composeOptions);
 
   const applyWindowOptions = {
@@ -27,8 +40,8 @@ export function apodization(data: DataReIm, options: ApodizationOptions) {
     pointsToShift,
   };
 
-  const re = applyWindow(data.re, applyWindowOptions);
-  const im = applyWindow(data.im, applyWindowOptions);
+  const re = apply ? applyWindow(data.re, applyWindowOptions) : data.re;
+  const im = apply ? applyWindow(data.im, applyWindowOptions) : data.im;
 
   return { re, im, windowData };
 }

package/src/apodization/applyWindow.ts

@@ -42,7 +42,6 @@ export function applyWindow(data: DoubleArray, options: ApplyWindowOptions) {
   for (let i = start, j = 0; i < firstEndPoint; i++) {
     output[i] *= windowData[j++];
   }
-
   for (let i = dataLength - 1, j = 0; i > dataLength - pointsToShift - 1; i--) {
     output[i] *= windowData[j++];
   }

package/src/apodization/compose.ts

@@ -36,6 +36,7 @@ export function compose(shapeOptions: ShapeOptions) {
       'length' in shapeOptions ? shapeOptions.length : dataLength - start;
 
     const windowData = getData(getFunction(shape), length);
+
     applyWindow(data, {
       windowData,
       length,

package/src/apodization/getFunction.ts

@@ -1,6 +1,7 @@
 import type { WindowFunctions } from './shapes/WindowFunctions';
 import { exponential } from './shapes/exponential';
 import { lorentzToGauss } from './shapes/lorentzToGauss';
+import { sineBell } from './shapes/sineBell';
 
 export function getFunction(shape: WindowFunctions) {
   const { kind, options } = shape;
@@ -9,6 +10,8 @@ export function getFunction(shape: WindowFunctions) {
       return exponential(options);
     case 'lorentzToGauss':
       return lorentzToGauss(options);
+    case 'sineBell':
+      return sineBell(options);
     default:
       throw Error(`Unknown distribution ${kind as string}`);
   }

package/src/apodization/shapes/WindowFunctions.ts

@@ -1,5 +1,6 @@
 import type { ExponentialOptions } from './exponential';
 import type { LorentzToGaussOptions } from './lorentzToGauss';
+import { SineBellOptions } from './sineBell';
 
 interface Exponential {
   kind: 'exponential';
@@ -11,4 +12,9 @@ interface LorentToGauss {
   options: LorentzToGaussOptions;
 }
 
-export type WindowFunctions = Exponential | LorentToGauss;
+interface SineBell {
+  kind: 'sineBell';
+  options: SineBellOptions;
+}
+
+export type WindowFunctions = Exponential | LorentToGauss | SineBell;

package/src/apodization/shapes/sineBell.ts

@@ -0,0 +1,41 @@
+export interface SineBellOptions {
+  /**
+   * Specifies the exponent of the sine-bell; Non-integer values are allowed.
+   * Common values are 1.0 (for ordinary sine-bell) and 2.0 (for squared-bell functions).
+   * @default 1
+   */
+  exponent?: number;
+  /**
+   * Specifies the starting point of the sine-bell in units of pi radians.
+   * Common values are 0.0 (for a sine window which starts height at 0.0) and
+   * 0.5 (for a cosine window, which starts at height 1.0).
+   * @default 0
+   */
+  offset?: number;
+  /**
+   * Specifies the ending point of the sine-bell in units of pi radians.
+   * Common values are 1.0 (for a window which goes to 0.0 height at the last point) and
+   * 0.95 (for a window which doesn't go all the way to 0.0).
+   * @default 1
+   */
+  end?: number;
+  /**
+   * Specifies the number of points in the window function.
+   */
+  length: number;
+}
+
+export function sineBell(options: SineBellOptions) {
+  const { exponent = 1, offset = 0, end = 1, length } = options;
+
+  if (length === undefined) {
+    throw new Error('length options should exists for sineBell shape');
+  }
+
+  if (end < 0 || end > 1) {
+    throw new Error(`the end parameter should be [0-1]`);
+  }
+  const c1 = Math.PI * offset;
+  const c2 = (Math.PI * (end - offset)) / (length - 1);
+  return (i: number) => Math.pow(Math.sin(c1 + c2 * i), exponent);
+}

package/src/apodization/utils/getData.ts

@@ -9,7 +9,6 @@ export function getData(func: (i: number) => number, length: number) {
     data[i] = value;
     if (value > max) max = value;
   }
-
   for (let i = 0; i < length; i++) data[i] /= max;
   return data;
 }

package/src/constants/SignalsKinds.ts

@@ -0,0 +1,37 @@
+export const SignalKinds: { label: string; value: string }[] = [
+  {
+    label: 'Signal',
+    value: 'signal',
+  },
+  {
+    label: 'Reference',
+    value: 'reference',
+  },
+  {
+    label: 'Solvent',
+    value: 'solvent',
+  },
+  {
+    label: 'Impurity',
+    value: 'impurity',
+  },
+  {
+    label: 'Standard',
+    value: 'standard',
+  },
+  {
+    label: 'P1',
+    value: 'p1',
+  },
+  {
+    label: 'P2',
+    value: 'p2',
+  },
+  {
+    label: 'P3',
+    value: 'p3',
+  },
+];
+
+export const SignalKindsToInclude = ['signal'];
+export const DatumKind = { signal: 'signal', mixed: 'mixed' };

package/src/datum/ExclusionZone.ts

@@ -0,0 +1,5 @@
+export interface ExclusionZone {
+  id: string;
+  from: number;
+  to: number;
+}

package/src/datum/Filters.ts

@@ -0,0 +1,53 @@
+import { FilterDomainUpdateRules } from './FiltersManager';
+import * as apodization from './data1d/filter1d/apodization/apodization';
+import * as baselineCorrection from './data1d/filter1d/baselineCorrection';
+import * as digitalFilter from './data1d/filter1d/digitalFilter';
+import * as equallySpaced from './data1d/filter1d/equallySpaced';
+import * as exclusionZones from './data1d/filter1d/exclusionZones';
+import * as fft from './data1d/filter1d/fft';
+import * as phaseCorrection from './data1d/filter1d/phaseCorrection';
+import * as shiftX from './data1d/filter1d/shiftX';
+import * as signalProcessing from './data1d/filter1d/signalProcessing';
+import * as zeroFilling from './data1d/filter1d/zeroFilling';
+import * as shift2DX from './data2d/filter2d/shiftX';
+import * as shift2DY from './data2d/filter2d/shiftY';
+
+export type { ApodizationOptions } from './data1d/filter1d/apodization/apodization';
+export type {
+  BaselineAlgorithms,
+  PolynomialOptions,
+  AirplsOptions,
+  BaselineCorrectionOptions,
+} from './data1d/filter1d/baselineCorrection';
+export type {
+  PhaseCorrectionParameters,
+  AutoPhaseCorrectionOptions,
+} from './data1d/filter1d/phaseCorrection';
+export type { ZeroFillingOptions } from './data1d/filter1d/zeroFilling';
+
+export { apodizationFilter } from './data1d/filter1d/apodization/apodizationFilter';
+
+export const Filters: Record<
+  string,
+  {
+    apply: any;
+    reduce: any;
+    isApplicable: any;
+    name: string;
+    id: string;
+    DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
+  }
+> = {
+  apodization,
+  exclusionZones,
+  signalProcessing,
+  baselineCorrection,
+  digitalFilter,
+  equallySpaced,
+  fft,
+  phaseCorrection,
+  shiftX,
+  zeroFilling,
+  shift2DX,
+  shift2DY,
+};

package/src/datum/FiltersManager.ts

@@ -0,0 +1,229 @@
+import { v4 } from '@lukeed/uuid';
+import { Data2D } from 'cheminfo-types';
+
+import { Data1D } from '../types/Data1D';
+import { BaseFilter, Filter } from '../types/Filter';
+import { cloneData1D } from '../utilities/cloneData1D';
+import { cloneData2D } from '../utilities/cloneData2D';
+
+import { Filters } from './Filters';
+import { Entry1D } from './data1d/Entry1D';
+import { updateIntegrals } from './data1d/utils/updateIntegrals';
+import { updatePeaks } from './data1d/utils/updatePeaks';
+import { updateRanges } from './data1d/utils/updateRanges';
+import { Entry2D } from './data2d/Entry2D';
+import { updateZones } from './data2d/utils/updateZones';
+
+export interface FilterDomainUpdateRules {
+  updateYDomain: boolean;
+  updateXDomain: boolean;
+}
+
+export type Entry = Entry1D | Entry2D;
+function resetDataToOrigin(datum: Entry1D | Entry2D) {
+  datum.data =
+    datum.info.dimension === 1
+      ? cloneData1D(datum.originalData as Data1D)
+      : cloneData2D(datum.originalData as Data2D);
+
+  const { originalInfo } = datum;
+  if (originalInfo) {
+    datum.info = { ...originalInfo };
+  }
+}
+// update the the part of the data that affected by applying the filters
+function updateData(datum: Entry1D | Entry2D) {
+  if (datum.info.dimension === 1) {
+    updatePeaks(datum as Entry1D);
+    updateRanges(datum as Entry1D);
+    updateIntegrals(datum as Entry1D);
+  } else if (datum.info.dimension === 2) {
+    updateZones(datum as Entry2D);
+  }
+}
+
+interface ApplyFilterOptions {
+  forceReapply?: boolean;
+  filterIndex?: number | -1;
+}
+
+interface FilterOption {
+  name: string;
+  label: string;
+  value: any;
+}
+
+/***
+ * @param {object} Filters [{name:'',options:{}},{...}]
+ */
+export function applyFilter(
+  datum: Entry1D | Entry2D,
+  filters: BaseFilter[] = [],
+  options: ApplyFilterOptions = {},
+) {
+  const { forceReapply = false, filterIndex } = options;
+  let isReduced = false;
+  for (let filter of filters) {
+    const filterOption = {
+      name: filter.name,
+      label: Filters[filter.name].name,
+      value: filter.value,
+    };
+    const previousFilter = lookupForFilter(datum, filter.name);
+    const isDeleteAllow =
+      'isDeleteAllow' in filter ? filter.isDeleteAllow : true;
+    if (previousFilter) {
+      const reduceResult = Filters[filter.name].reduce(
+        previousFilter.value,
+        filterOption.value,
+      );
+      if (reduceResult.once) {
+        if (!isReduced) {
+          isReduced = true;
+        }
+        if (reduceResult.reduce != null && reduceResult.reduce !== undefined) {
+          replaceFilter(datum, previousFilter.id, reduceResult.reduce);
+        }
+      } else {
+        addFilter(datum, filterOption, { isDeleteAllow, filterIndex });
+      }
+    } else {
+      addFilter(datum, filterOption, { isDeleteAllow, filterIndex });
+    }
+  }
+  if (forceReapply) {
+    reapplyFilters(datum);
+  } else if (isReduced) {
+    if (filters.length === 1 && isLastFilter(datum, filters[0].name)) {
+      Filters[filters[0].name].apply(datum, filters[0].value);
+    } else {
+      reapplyFilters(datum);
+    }
+  } else {
+    for (let filter of filters) {
+      Filters[filter.name].apply(datum, filter.value);
+    }
+  }
+  updateData(datum);
+}
+
+function isLastFilter(datum: Entry1D | Entry2D, id: string) {
+  const index = datum.filters.findIndex((f) => f.name === id);
+  if (datum.filters.length === index + 1) {
+    return true;
+  }
+  return false;
+}
+
+export function lookupForFilter(datum: Entry1D | Entry2D, filterName: string) {
+  return datum.filters.find((f) => f.name === filterName);
+}
+
+export function reapplyFilters(datum: Entry1D | Entry2D, filters?: Filter[]) {
+  const _filters = filters || datum.filters;
+  enableFilter(datum, null, null, _filters);
+}
+
+// id filter id
+export function enableFilter(
+  datum: Entry1D | Entry2D,
+  id: string | null,
+  checked: boolean | null,
+  filters?: Filter[],
+) {
+  datum.filters = datum.filters.slice(0);
+  if (id) {
+    datum.filters = datum.filters.map((filter) => {
+      return { ...filter, flag: filter.id === id ? checked : filter.flag };
+    });
+  }
+
+  resetDataToOrigin(datum);
+
+  const _filters = filters || datum.filters;
+
+  for (let filterIndex = 0; filterIndex < _filters.length; filterIndex++) {
+    const filter = datum.filters[filterIndex];
+    datum.filters[filterIndex] = {
+      ...datum.filters[filterIndex],
+    };
+
+    if (filter.flag) {
+      try {
+        Filters[filter.name].apply(datum, filter.value);
+      } catch (error: any) {
+        datum.filters[filterIndex] = {
+          ...datum.filters[filterIndex],
+          error: error.message,
+        };
+      }
+    }
+  }
+}
+
+export function deleteFilter(datum: Entry1D | Entry2D, id?: string) {
+  // delete the specified filter otherwise delete all filters where isDeleteAllow is true
+  datum.filters = datum.filters
+    .slice(0)
+    .filter((filter) => (id ? filter.id !== id : !filter.isDeleteAllow));
+
+  resetDataToOrigin(datum);
+
+  for (let i = 0; i < datum.filters.length; i++) {
+    datum.filters[i] = {
+      ...datum.filters[i],
+    };
+
+    if (datum.filters[i].flag) {
+      const { name, value } = datum.filters[i];
+      try {
+        Filters[name].apply(datum, value);
+      } catch (error: any) {
+        datum.filters[i] = {
+          ...datum.filters[i],
+          error: error.message,
+        };
+      }
+    }
+  }
+  updateData(datum);
+}
+interface AddFilterOptions {
+  filterIndex?: number;
+  isDeleteAllow?: boolean;
+}
+
+export function addFilter(
+  datum: Entry1D | Entry2D,
+  filterOptions: FilterOption,
+  options: AddFilterOptions = {},
+) {
+  const { filterIndex, isDeleteAllow = true } = options;
+  const id = v4();
+
+  const filter = {
+    ...filterOptions,
+    id,
+    flag: true,
+    isDeleteAllow,
+  };
+
+  if (typeof filterIndex === 'number' && filterIndex !== -1) {
+    datum.filters = [
+      ...datum.filters.slice(0, filterIndex + 1),
+      filter,
+      ...datum.filters.slice(filterIndex + 1),
+    ];
+  } else {
+    datum.filters.push(filter);
+  }
+}
+
+function replaceFilter(datum: Entry1D | Entry2D, filterID: string, value: any) {
+  // datum.filters = datum.filters.slice(0);
+  const index = datum.filters.findIndex((f) => f.id === filterID);
+  datum.filters[index] = {
+    ...datum.filters[index],
+    value,
+  };
+}