nmr-processing 12.12.2 → 13.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -61,13 +61,12 @@ export declare function apodization(data: DataReIm | DataXReIm, options?: Apodiz
61
61
  im: DoubleArray;
62
62
  };
63
63
 
64
+ export declare interface Apodization2DOptions {
65
+ f1: ApodizationOptions;
66
+ f2: ApodizationOptions;
67
+ }
68
+
64
69
  export declare function apodizationFilter(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): {
65
- windowData: Float64Array;
66
- x: DoubleArray;
67
- re: DoubleArray;
68
- im: DoubleArray;
69
- } | {
70
- windowData: Float64Array;
71
70
  re: DoubleArray;
72
71
  im: DoubleArray;
73
72
  };
@@ -88,9 +87,15 @@ export declare interface ApodizationFilterOptions {
88
87
  }
89
88
 
90
89
  export declare interface ApodizationOptions {
91
- lineBroadening: number;
92
- gaussBroadening: number;
93
- lineBroadeningCenter: number;
90
+ /**
91
+ * apply the window data to input data
92
+ * @default true
93
+ */
94
+ apply?: boolean;
95
+ /**
96
+ * parameters of the shape plus the kind of shape to identify
97
+ */
98
+ shapes?: Array<ShapeToAdd<FlexibleWindowFunctions>>;
94
99
  }
95
100
 
96
101
  /***
@@ -461,7 +466,7 @@ export { FiltersManager }
461
466
  */
462
467
  export declare function findMultiplet(name: string): MultipletDefinition | undefined;
463
468
 
464
- export declare type FlexibleWindowFunctions = Exponential<Partial<ExponentialOptions>> | LorentToGauss<Partial<LorentzToGaussOptions>> | SineBell<Partial<SineBellOptions>> | Traf<Partial<TrafOptions>> | ModifiedGaussian<Partial<ModifiedGaussianOptions>>;
469
+ export declare type FlexibleWindowFunctions = Exponential<Partial<ExponentialOptions>> | LorentToGauss<Partial<LorentzToGaussOptions>> | SineBell<Partial<SineBellOptions>> | SineSquare<Partial<SineBellOptions>> | Traf<Partial<TrafOptions>> | ModifiedGaussian<Partial<ModifiedGaussianOptions>>;
465
470
 
466
471
  export declare interface ForwardLPOptions {
467
472
  /**
@@ -2320,17 +2325,17 @@ declare interface LorentzToGaussOptions {
2320
2325
  * Gaussian Broaden Width, Hz
2321
2326
  * @default 0
2322
2327
  */
2323
- gaussianHz?: number;
2328
+ gaussBroadening?: number;
2324
2329
  /**
2325
2330
  * Inverse Exponential Width, Hz
2326
2331
  * @default 0
2327
2332
  */
2328
- exponentialHz?: number;
2333
+ lineBroadening?: number;
2329
2334
  /**
2330
2335
  * Location of Gauss Maximum, this value should be between 0 to 1
2331
- * @default 0
2336
+ * @default 1
2332
2337
  */
2333
- center?: number;
2338
+ lineBroadeningCenter?: number;
2334
2339
  }
2335
2340
 
2336
2341
  declare type MakeMandatory<T, K extends keyof T> = T & {
@@ -2690,7 +2695,7 @@ export declare function optimizeSignals(data: DataXY, signals: Signal[], options
2690
2695
  delta: number;
2691
2696
  js: Jcoupling[];
2692
2697
  shape: {
2693
- kind: "gaussian" | "lorentzian" | "pseudoVoigt";
2698
+ kind: "gaussian" | "lorentzian" | "pseudoVoigt" | "generalizedLorentzian";
2694
2699
  fwhm: number;
2695
2700
  };
2696
2701
  intensity: number;
@@ -2857,7 +2862,7 @@ declare interface OptionsXYAutoRangesPicking {
2857
2862
  logger?: Logger;
2858
2863
  }
2859
2864
 
2860
- declare type Parameter = 'delta' | 'intensity' | 'fwhm' | 'mu' | 'coupling';
2865
+ declare type Parameter = 'delta' | 'intensity' | 'fwhm' | 'mu' | 'coupling' | 'gamma';
2861
2866
 
2862
2867
  declare type ParametersFromOptions = Record<Parameter, Record<string, number | ((options?: {
2863
2868
  signal?: Signal;
@@ -3407,6 +3412,11 @@ declare interface ShapeOptions<ShapeWindow = WindowFunctions> {
3407
3412
  }
3408
3413
 
3409
3414
  declare interface ShapeToAdd<ShapeWindows = WindowFunctions> {
3415
+ /**
3416
+ * if it is false the shape is not included in the apodization
3417
+ * @default true
3418
+ */
3419
+ apply?: boolean;
3410
3420
  /**
3411
3421
  * Start Location for Applying Apodize Window
3412
3422
  */
@@ -3699,6 +3709,11 @@ declare interface SineBellOptions {
3699
3709
  length: number;
3700
3710
  }
3701
3711
 
3712
+ declare interface SineSquare<ShapeOption = SineBellOptions> {
3713
+ kind: 'sineSquare';
3714
+ options: ShapeOption;
3715
+ }
3716
+
3702
3717
  export declare type Solvent = keyof typeof impuritiesContent;
3703
3718
 
3704
3719
  declare type Solvent_2 = keyof typeof impurities;
@@ -3872,7 +3887,7 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
3872
3887
 
3873
3888
  export declare function updateRangesRelativeValues(spectrum: Entry1D, forceCalculateIntegral?: boolean): void;
3874
3889
 
3875
- export declare type WindowFunctions = Exponential | LorentToGauss | SineBell | Traf | ModifiedGaussian;
3890
+ export declare type WindowFunctions = Exponential | LorentToGauss | SineBell | SineSquare | Traf | ModifiedGaussian;
3876
3891
 
3877
3892
  /**
3878
3893
  * Predict back points by singular value decomposition.