nmr-processing 21.0.1 → 21.0.3
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.
- package/dist/nmr-processing.d.ts +1 -38
- package/dist/nmr-processing.js +2 -2
- package/package.json +2 -2
package/dist/nmr-processing.d.ts
CHANGED
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@@ -72,7 +72,7 @@ import type { OCLMolecule } from 'cheminfo-types';
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72
72
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import type { OptimizePeaksOptions } from 'ml-gsd';
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import type { OptionsSG1D } from 'spectrum-generator';
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import type { Peak1D } from '@zakodium/nmr-types';
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75
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-
import { Peak2D } from 'ml-matrix-peaks-finder';
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75
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+
import type { Peak2D } from 'ml-matrix-peaks-finder';
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import type { Peaks } from '@zakodium/nmr-types';
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import type { PeakXYWidth } from 'cheminfo-types';
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import type { PhaseCorrection1DFilterOptions } from '@zakodium/nmr-types';
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@@ -342,15 +342,6 @@ export declare function checkMultiplicity(multiplicity: string, rejected?: OneLe
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declare function checkSignalKinds(range: Range_2, kinds: ReadonlySet<SignalKind>): boolean;
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-
declare interface CompilePatternOptions {
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observedFrequencies?: number[] | Float64Array;
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tolerances?: number[] | Float64Array;
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nuclei?: string[];
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jAnalyzer?: {
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jAxisKey: JAxisKeys;
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};
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}
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-
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export declare const couplingACSPatterns: string[];
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declare interface CouplingGroupInput {
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@@ -1043,12 +1034,6 @@ export declare function isRangeExists(range: Pick<Range_2, 'from' | 'to'>, spect
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export declare function isZoneExists(zone: Pick<Zone, 'x' | 'y'>, spectrum: Entry2D, error: Zone2DError): boolean;
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declare interface JAxisKeys {
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[key: string]: string;
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jAxis: string;
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intensity: string;
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}
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-
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declare type JcouplingFromPrediction = MakeMandatory<Jcoupling, 'multiplicity' | 'diaIDs' | 'pathLength'>;
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declare type LevenbergMarquardtOptimizationOptionsDefaultsKeys = Extract<'minValues' | 'maxValues' | 'initialValues' | 'gradientDifference' | keyof typeof defaultLMOptimizationOptions, keyof LevenbergMarquardtOptions>;
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@@ -2811,28 +2796,6 @@ export declare interface XYZAutoZonesPickingOptions {
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kernel?: GetKernelOptions;
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}
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export declare function xyzJResAnalyzer(signals: NMRSignal2D[], options?: XYZJResAnalyzerOptions): NMRZoneWithID[] | (NMRSignal2D<Peak2D> & {
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id: string;
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})[];
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declare interface XYZJResAnalyzerOptions extends CompilePatternOptions {
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/**
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* maximum difference in Hz to discard if the signal is symmetric.
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* @default 0.08
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*/
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referenceMaxShiftError?: number;
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/**
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* reference value in Hz
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* @default 0
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*/
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reference?: number;
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/**
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* if it is true returns zones instead of signals 2D
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* @default false
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*/
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getZones?: boolean;
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}
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-
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export declare function xyzPhaseCorrection(data: NmrData2DFt, options: PhaseCorrectionTwoDOptions): NmrData2DFt;
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declare type ZeroFilling = FilterFactory<Entry1D, ZeroFillingOptions> & Pick<ZeroFillingFilterOptions, 'name'>;
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