feat: improve 1D line broadening filter

package.json

@@ -88,8 +88,8 @@
     "ml-tree-similarity": "^2.2.0",
     "multiplet-analysis": "^2.1.2",
     "nmr-correlation": "^2.3.3",
-    "nmr-load-save": "^1.2.0",
-    "nmr-processing": "^12.12.3",
+    "nmr-load-save": "^1.2.2",
+    "nmr-processing": "^13.0.2",
     "nmredata": "^0.9.11",
     "numeral": "^2.0.6",
     "openchemlib": "^8.16.0",
@@ -150,4 +150,4 @@
     "vite": "^5.4.9",
     "vitest": "^2.1.3"
   }
-}
+}

src/component/1d/ApodizationLine.tsx

@@ -58,22 +58,22 @@ function ApodizationLine() {
         apply: false,
         compose: {
           length,
-          shapes: [
-            {
+          shapes: {
+            lorentzToGauss: {
               start: 0,
               shape: {
                 kind: 'lorentzToGauss',
                 options: {
                   length,
                   dw,
-                  exponentialHz:
+                  lineBroadening:
                     gaussBroadening > 0 ? lineBroadening : -lineBroadening,
-                  gaussianHz: gaussBroadening,
-                  center: lineBroadeningCenter,
+                  gaussBroadening,
+                  lineBroadeningCenter,
                 },
               },
             },
-          ],
+          },
         },
       },
     );

src/component/modal/EditPeakShapeModal.tsx

@@ -25,7 +25,9 @@ function getKindDefaultValues(kind: Kind) {
   return {
     kind,
     fwhm: 500,
-    ...(kind === 'pseudoVoigt' && { mu: 0.5 }),
+    ...(kind === 'pseudoVoigt'
+      ? { mu: 0.5 }
+      : kind === 'generalizedLorentzian' && { gamma: 0.5 }),
   };
 }
 function getValues(peak: Peak1D, kind: Kind): Shape {
@@ -61,6 +63,10 @@ const KINDS: Array<{ label: string; value: Kind }> = [
     value: 'pseudoVoigt',
     label: 'PseudoVoigt',
   },
+  {
+    value: 'generalizedLorentzian',
+    label: 'Generalized Lorentzian',
+  },
 ];
 
 const labelStyle: LabelStyle = {
@@ -148,6 +154,16 @@ function InnerEditPeakShapeModal(props: Required<EditPeakShapeModalProps>) {
               <NumberInput2Controller min={0} control={control} name="mu" />
             </Label>
           )}
+          {kind === 'generalizedLorentzian' && (
+            <Label title="Gamma:" style={labelStyle}>
+              <NumberInput2Controller
+                min={-1}
+                max={2}
+                control={control}
+                name="gamma"
+              />
+            </Label>
+          )}
         </>
       </DialogBody>
       <DialogFooter>

src/component/panels/PeaksPanel/PeaksPreferences.tsx

@@ -58,6 +58,12 @@ const formatFields: NucleusPreferenceField[] = [
     checkFieldName: 'mu.show',
     formatFieldName: 'mu.format',
   },
+  {
+    id: 11,
+    label: 'gamma :',
+    checkFieldName: 'gamma.show',
+    formatFieldName: 'gamma.format',
+  },
   {
     id: 9,
     label: 'Delete action :',

src/component/panels/PeaksPanel/PeaksTable.tsx

@@ -141,6 +141,23 @@ function PeaksTable({ activeTab, data, info }: PeaksTableProps) {
           return '';
         },
       },
+      {
+        showWhen: 'gamma.show',
+        index: 9,
+        Header: 'gamma',
+        accessor: (row) =>
+          (row?.shape?.kind === 'generalizedLorentzian' && row?.shape?.gamma) ||
+          '',
+        Cell: ({ row }) => {
+          const gamma =
+            row.original?.shape?.kind === 'generalizedLorentzian' &&
+            row.original?.shape?.gamma;
+          if (gamma) {
+            return formatNumber(gamma, peaksPreferences.gamma.format);
+          }
+          return '';
+        },
+      },
       {
         showWhen: 'showEditPeakShapeAction',
         ...createActionColumn<PeakRecord>({

src/component/panels/filtersPanel/Filters/hooks/useSharedApodization.tsx

@@ -1,12 +1,10 @@
 import { yupResolver } from '@hookform/resolvers/yup';
-import type {
-  ApodizationOptions as BaseApodizationOptions,
-  Filter,
-} from 'nmr-processing';
+import type { Filter } from 'nmr-processing';
 import { useCallback, useEffect, useRef } from 'react';
 import { useForm } from 'react-hook-form';
 import * as Yup from 'yup';
 
+import type { Apodization1DOptions as BaseApodizationOptions } from '../../../../../data/constants/DefaultApodizationOptions.js';
 import { defaultApodizationOptions } from '../../../../../data/constants/DefaultApodizationOptions.js';
 import { useDispatch } from '../../../../context/DispatchContext.js';
 import { useSyncedFilterOptions } from '../../../../context/FilterSyncOptionsContext.js';

src/component/reducer/Reducer.ts

@@ -5,12 +5,10 @@ import { produce, original } from 'immer';
 import type { CorrelationData } from 'nmr-correlation';
 import { buildCorrelationData } from 'nmr-correlation';
 import type { Spectrum, ViewState } from 'nmr-load-save';
-import type {
-  ApodizationOptions,
-  BaselineCorrectionZone,
-} from 'nmr-processing';
+import type { BaselineCorrectionZone } from 'nmr-processing';
 import type { Reducer } from 'react';
 
+import type { Apodization1DOptions } from '../../data/constants/DefaultApodizationOptions.js';
 import type { StateMoleculeExtended } from '../../data/molecules/Molecule.js';
 import type { UsedColors } from '../../types/UsedColors.js';
 import type { Action } from '../context/DispatchContext.js';
@@ -169,7 +167,7 @@ export const getInitialState = (): State => ({
         zones: [],
         livePreview: true,
       },
-      apodizationOptions: {} as ApodizationOptions,
+      apodizationOptions: {} as Apodization1DOptions,
       twoDimensionPhaseCorrection: {
         activeTraceDirection: 'horizontal',
         addTracesToBothDirections: true,
@@ -347,7 +345,7 @@ export interface State {
         options: any;
         livePreview: boolean;
       };
-      apodizationOptions: ApodizationOptions;
+      apodizationOptions: Apodization1DOptions;
       /**
        * pivot point for manual phase correction
        * @default {value:0,index:0}

src/component/reducer/actions/FiltersActions.ts

@@ -9,17 +9,15 @@ import type {
   Spectrum1D,
   Spectrum2D,
 } from 'nmr-load-save';
-import type {
-  ApodizationOptions,
-  BaselineCorrectionOptions,
-} from 'nmr-processing';
+import type { BaselineCorrectionOptions } from 'nmr-processing';
 import {
   Filters,
   FiltersManager,
   getBaselineZonesByDietrich,
 } from 'nmr-processing';
 
 import { defaultApodizationOptions } from '../../../data/constants/DefaultApodizationOptions.js';
+import type { Apodization1DOptions } from '../../../data/constants/DefaultApodizationOptions.js';
 import { isSpectrum1D } from '../../../data/data1d/Spectrum1D/index.js';
 import { getProjection } from '../../../data/data2d/Spectrum2D/getMissingProjection.js';
 import { isSpectrum2D } from '../../../data/data2d/Spectrum2D/index.js';
@@ -84,11 +82,11 @@ type ShiftSpectrumOptions = ShiftOneDimension | ShiftTwoDimensions;
 type ShiftSpectrumAction = ActionType<'SHIFT_SPECTRUM', ShiftSpectrumOptions>;
 type ApodizationFilterAction = ActionType<
   'APPLY_APODIZATION_FILTER',
-  { options: ApodizationOptions }
+  { options: Apodization1DOptions }
 >;
 type ApodizationFilterLiveAction = ActionType<
   'CALCULATE_APODIZATION_FILTER',
-  { options: ApodizationOptions; livePreview: boolean }
+  { options: Apodization1DOptions; livePreview: boolean }
 >;
 type ZeroFillingFilterAction = ActionType<
   'APPLY_ZERO_FILLING_FILTER',