nmr-processing 21.0.0 → 21.0.2

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.
@@ -72,7 +72,7 @@ import type { OCLMolecule } from 'cheminfo-types';
72
72
  import type { OptimizePeaksOptions } from 'ml-gsd';
73
73
  import type { OptionsSG1D } from 'spectrum-generator';
74
74
  import type { Peak1D } from '@zakodium/nmr-types';
75
- import { Peak2D } from 'ml-matrix-peaks-finder';
75
+ import type { Peak2D } from 'ml-matrix-peaks-finder';
76
76
  import type { Peaks } from '@zakodium/nmr-types';
77
77
  import type { PeakXYWidth } from 'cheminfo-types';
78
78
  import type { PhaseCorrection1DFilterOptions } from '@zakodium/nmr-types';
@@ -342,15 +342,6 @@ export declare function checkMultiplicity(multiplicity: string, rejected?: OneLe
342
342
 
343
343
  declare function checkSignalKinds(range: Range_2, kinds: ReadonlySet<SignalKind>): boolean;
344
344
 
345
- declare interface CompilePatternOptions {
346
- observedFrequencies?: number[] | Float64Array;
347
- tolerances?: number[] | Float64Array;
348
- nuclei?: string[];
349
- jAnalyzer?: {
350
- jAxisKey: JAxisKeys;
351
- };
352
- }
353
-
354
345
  export declare const couplingACSPatterns: string[];
355
346
 
356
347
  declare interface CouplingGroupInput {
@@ -573,9 +564,9 @@ declare interface Entry1D {
573
564
  declare interface Entry2D<T extends NmrData2D = NmrData2D> {
574
565
  id?: string;
575
566
  zones: Zones;
576
- info: Record<string, any>;
567
+ info: Info2D;
577
568
  meta?: Record<string, any>;
578
- originalInfo?: Record<string, any>;
569
+ originalInfo?: Info2D;
579
570
  data: T;
580
571
  originalData?: T;
581
572
  filters: Filter2DEntry[];
@@ -1043,12 +1034,6 @@ export declare function isRangeExists(range: Pick<Range_2, 'from' | 'to'>, spect
1043
1034
 
1044
1035
  export declare function isZoneExists(zone: Pick<Zone, 'x' | 'y'>, spectrum: Entry2D, error: Zone2DError): boolean;
1045
1036
 
1046
- declare interface JAxisKeys {
1047
- [key: string]: string;
1048
- jAxis: string;
1049
- intensity: string;
1050
- }
1051
-
1052
1037
  declare type JcouplingFromPrediction = MakeMandatory<Jcoupling, 'multiplicity' | 'diaIDs' | 'pathLength'>;
1053
1038
 
1054
1039
  declare type LevenbergMarquardtOptimizationOptionsDefaultsKeys = Extract<'minValues' | 'maxValues' | 'initialValues' | 'gradientDifference' | keyof typeof defaultLMOptimizationOptions, keyof LevenbergMarquardtOptions>;
@@ -2811,28 +2796,6 @@ export declare interface XYZAutoZonesPickingOptions {
2811
2796
  kernel?: GetKernelOptions;
2812
2797
  }
2813
2798
 
2814
- export declare function xyzJResAnalyzer(signals: NMRSignal2D[], options?: XYZJResAnalyzerOptions): NMRZoneWithID[] | (NMRSignal2D<Peak2D> & {
2815
- id: string;
2816
- })[];
2817
-
2818
- declare interface XYZJResAnalyzerOptions extends CompilePatternOptions {
2819
- /**
2820
- * maximum difference in Hz to discard if the signal is symmetric.
2821
- * @default 0.08
2822
- */
2823
- referenceMaxShiftError?: number;
2824
- /**
2825
- * reference value in Hz
2826
- * @default 0
2827
- */
2828
- reference?: number;
2829
- /**
2830
- * if it is true returns zones instead of signals 2D
2831
- * @default false
2832
- */
2833
- getZones?: boolean;
2834
- }
2835
-
2836
2799
  export declare function xyzPhaseCorrection(data: NmrData2DFt, options: PhaseCorrectionTwoDOptions): NmrData2DFt;
2837
2800
 
2838
2801
  declare type ZeroFilling = FilterFactory<Entry1D, ZeroFillingOptions> & Pick<ZeroFillingFilterOptions, 'name'>;