nmr-processing 22.1.0 → 22.3.0
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.
- package/dist/nmr-processing.d.ts +60 -1
- package/dist/nmr-processing.js +2 -2
- package/package.json +4 -4
package/dist/nmr-processing.d.ts
CHANGED
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@@ -97,6 +97,8 @@ import type { SineBellOptions } from '@zakodium/nmr-types';
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import type { SymmetrizeCosyLikeOptions } from '@zakodium/nmr-types';
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import type { TopicMolecule } from 'openchemlib-utils';
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import type { TrafOptions } from '@zakodium/nmr-types';
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+
import type { TrimFilterOptions } from '@zakodium/nmr-types';
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import type { TrimOptions } from '@zakodium/nmr-types';
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import type { XRobustDistributionStats } from 'ml-spectra-processing';
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import type { XYNumber } from 'spectrum-generator';
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import type { ZeroFillingDimension1Options } from '@zakodium/nmr-types';
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@@ -606,7 +608,7 @@ export declare function fftIndirectDimension(data: {
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im: DoubleArray[] | Matrix;
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}, options?: IndirectDimensionOptions): Record<string, Matrix>;
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-
export declare type Filter1D = FFT1D | BaselineCorrection1D | BackwardLinearPrediction1D | Apodization1D | DigitalFilter | EquallySpaced | ExclusionZones | ForwardLP1D | PhaseCorrection1D | ShiftX | SignalProcessing | ZeroFilling;
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export declare type Filter1D = FFT1D | BaselineCorrection1D | BackwardLinearPrediction1D | Apodization1D | DigitalFilter | EquallySpaced | ExclusionZones | ForwardLP1D | PhaseCorrection1D | ShiftX | SignalProcessing | Trim | ZeroFilling;
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export declare type Filter2D = ApodizationDimension1 | ApodizationDimension2 | BaselineCorrection2D | BackwardLPDimension1 | BackwardLPDimension2 | NUSDimension2 | FFTDimension1 | FFTDimension2 | FordwardLPDimension1 | FordwardLPDimension2 | DigitalFilter2D | PhaseCorrection2D | ZeroFillingDimension1 | ZeroFillingDimension2 | SymmetrizeCosyLike | Shift2DX | Shift2DY;
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@@ -902,6 +904,18 @@ export declare function getBaselineZonesByDietrich(data: NmrData1D, options?: Ba
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declare function getBonds(b: BondInput[]): BondOutput[];
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export declare function getColumnFrom(data: Matrix, info: {
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acquisitionScheme?: string;
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reverse?: boolean;
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index: number;
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}): {
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re: number[];
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im: Float64Array<ArrayBuffer>;
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} | {
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re: Float64Array<ArrayBuffer>;
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im: Float64Array<ArrayBuffer>;
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};
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declare function getCouplingGroups(cg: CouplingGroupInput[]): {
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id: string;
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parentID: string;
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@@ -2515,6 +2529,41 @@ declare interface Traf<ShapeOption = TrafOptions> {
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*/
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export declare function translateMultiplet(name: string): string;
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declare type Trim = FilterFactory<Entry1D, TrimOptions> & Pick<TrimFilterOptions, 'name'>;
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export declare interface TrimApplyOptions {
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/**
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* Percentage (0-100) of points to trim from the low side. If undefined, no percentage-based trimming is applied to the low.
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* @default undefined
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*/
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lowPercentage?: number;
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/**
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* Percentage (0-100) of points to trim from the high side. If undefined, no percentage-based trimming is applied to the high.
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* @default undefined
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*/
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highPercentage?: number;
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/**
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* Value of the leftmost point to keep. If set, all points to the low of this value are trimmed.
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* @default undefined
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*/
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lowValue?: number;
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/**
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* Value of the rightmost point to keep. If set, all points to the high of this value are trimmed.
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* @default undefined
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*/
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highValue?: number;
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/**
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* Number of points to remove from the low side. If set, trims this many points from the low.
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* @default 0
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*/
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lowNbPoints?: number;
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/**
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* Number of points to remove from the high side. If set, trims this many points from the high.
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* @default 0
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*/
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highNbPoints?: number;
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}
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/**
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* Options for specifying the region and resolution of the 2D spectrum
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*/
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@@ -2586,6 +2635,16 @@ export declare function xreimMultipletAnalysis(
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*/
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data: DataXReOptionalIm, options?: XreimMultipletAnalysis): any;
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/**
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* Trims the input arrays in the object by removing points from the low and high according to the provided options.
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*
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* @param input - The input data containing x (required), re (required), and optionally im arrays. All arrays must be of the same length.
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* @param options - The trimming options specifying how many points or what range to trim.
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* @throws Error if the x array is not sorted in ascending order.
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* @returns A new DataXReOptionalIm object with trimmed x, re, and (if present) im arrays.
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*/
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export declare function xreimTrim(input: DataXReOptionalIm, options: TrimApplyOptions): DataXReOptionalIm;
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export declare function xyAutoPeaksPicking(data: DataXY<Float64Array>, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithShapeID[];
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/**
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