nmr-processing 22.12.1 → 22.14.0

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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;
@@ -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;
@@ -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.
@@ -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