nmr-processing 22.12.1 → 22.14.0
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- package/dist/nmr-processing.d.ts +16 -2
- package/dist/nmr-processing.js +2 -2
- package/package.json +7 -7
package/dist/nmr-processing.d.ts
CHANGED
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@@ -1283,7 +1283,7 @@ export declare function optimizeSignals(data: DataXY, signals: Signal[], options
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delta: number;
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js: Jcoupling[];
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shape: {
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-
kind: "gaussian" | "lorentzian" | "pseudoVoigt" | "lorentzianDispersive" | "generalizedLorentzian";
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+
kind: "gaussian" | "lorentzian" | "pseudoVoigt" | "lorentzianDispersive" | "generalizedLorentzian" | "pseudoVoigtTCH";
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fwhm: number;
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};
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intensity: number;
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@@ -1475,7 +1475,7 @@ declare interface OptionsXYAutoRangesPickingProton {
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logger?: Logger;
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}
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-
declare type Parameter = 'delta' | 'intensity' | 'fwhm' | 'mu' | 'coupling' | 'gamma';
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+
declare type Parameter = 'delta' | 'intensity' | 'fwhm' | 'mu' | 'coupling' | 'gamma' | 'fwhmG' | 'fwhmL';
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declare type ParametersFromOptions = Record<Parameter, Record<string, number | ((options?: {
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signal?: Signal;
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@@ -2755,6 +2755,8 @@ export declare function xyPeaksOptimization<T extends PeakXYWidth>(data: DataXY,
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id: string;
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} ? GSDPeakOptimizedID : GSDPeakOptimized)[];
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export declare function xyPeaksOptimizationByStages(data: DataXY, peaks: PeakXYWidth[], options: XYPeaksOptimizationOptionsByStages): GSDPeakOptimizedID[];
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+
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export declare interface XYPeaksOptimizationOptions extends OptimizePeaksOptions {
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/**
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* frequency to convert width and fwhm to ppm.
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@@ -2762,6 +2764,18 @@ export declare interface XYPeaksOptimizationOptions extends OptimizePeaksOptions
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frequency: number;
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}
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export declare interface XYPeaksOptimizationOptionsByStages extends OptimizePeaksOptions {
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/**
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* frequency to convert width and fwhm to ppm.
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*/
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frequency: number;
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/**
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* Custom stage configurations to override the default 4-stage optimization pipeline.
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* Each stage defines grouping, optimizer settings, and which peak parameters to optimize.
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*/
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stages?: OptimizePeaksOptions[];
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}
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+
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/**
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* Bidimensional automatic phase correction, based in the idea to see the spectrum as a bitmap,
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* where the number of white pixels will be bigger in a phased spectrum (whitening concept). Further information can be found in the
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