nmr-processing 12.3.2 → 12.5.0

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@@ -263,9 +263,16 @@ export declare interface CreateSignals2DOptions {
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  maxX: number;
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  }
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- export declare type DataBaseLevelStructure = Record<string, number[] | undefined>;
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+ export declare type DataBaseLevelStructure = Record<string, [
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+ number,
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+ number,
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+ number,
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+ number | null,
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+ number
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+ ] | undefined>;
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  export declare interface DatabaseNMREntry {
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+ id: string;
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  ocl?: OCLMolecule;
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  smiles?: string;
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  solvent: string;
@@ -2326,26 +2333,26 @@ export declare function mapRanges(ranges: Range_2[] | NMRRange[], spectrum: Entr
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  delta: number;
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  multiplicity: string;
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  js: Jcoupling[];
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- atoms?: number[] | undefined;
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- assignment?: string | undefined;
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- diaIDs?: string[] | undefined;
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- nbAtoms?: number | undefined;
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- integration?: number | undefined;
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+ atoms?: number[];
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+ assignment?: string;
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+ diaIDs?: string[];
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+ nbAtoms?: number;
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+ integration?: number;
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  statistic?: {
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  mean: number;
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  sd: number;
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  min: number;
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  max: number;
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  nb: number;
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- } | undefined;
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+ };
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  kind: string;
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  id: string;
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  peaks: {
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  originalX: number;
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  x: number;
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  id: string;
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- kind?: string | undefined;
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- shape?: Shape1D | undefined;
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+ kind?: string;
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+ shape?: Shape1D;
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  y: number;
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  width: number;
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  }[];
@@ -2357,11 +2364,11 @@ export declare function mapRanges(ranges: Range_2[] | NMRRange[], spectrum: Entr
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  id: string;
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  kind: string;
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  integration: number;
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- nbAtoms?: number | undefined;
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- multiplicity?: string | undefined;
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- assignment?: string | undefined;
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- diaIDs?: string[] | undefined;
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- pubIntegral?: number | undefined;
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+ nbAtoms?: number;
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+ multiplicity?: string;
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+ assignment?: string;
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+ diaIDs?: string[];
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+ pubIntegral?: number;
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  }[];
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  export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOptions): {
@@ -2371,52 +2378,52 @@ export declare function mapZones(zones: Zone[], datum: Entry2D, options?: MapOpt
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  x: number;
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  y: number;
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  z: number;
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- originalX?: number | undefined;
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- originalY?: number | undefined;
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- originalZ?: number | undefined;
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+ originalX?: number;
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+ originalY?: number;
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+ originalZ?: number;
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  width?: number | {
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  x: number;
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  y: number;
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- } | undefined;
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+ };
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  }[] | undefined;
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  id: string;
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  kind: string;
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  x: {
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  originalDelta: number;
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  delta: number;
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- nbAtoms?: number | undefined;
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- diaIDs?: string[] | undefined;
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+ nbAtoms?: number;
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+ diaIDs?: string[];
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  };
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  y: {
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  originalDelta: number;
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  delta: number;
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- nbAtoms?: number | undefined;
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- diaIDs?: string[] | undefined;
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+ nbAtoms?: number;
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+ diaIDs?: string[];
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  };
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- sign?: number | undefined;
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+ sign?: number;
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  j?: {
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- pathLength?: number | FromTo | undefined;
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- } | undefined;
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+ pathLength?: number | FromTo;
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+ };
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  }[];
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  kind: string;
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  x: {
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  from: number;
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  to: number;
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- nbAtoms?: number | undefined;
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- diaIDs?: string[] | undefined;
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- originalFrom?: number | undefined;
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- originalTo?: number | undefined;
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+ nbAtoms?: number;
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+ diaIDs?: string[];
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+ originalFrom?: number;
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+ originalTo?: number;
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  };
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  y: {
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  from: number;
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  to: number;
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- nbAtoms?: number | undefined;
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- diaIDs?: string[] | undefined;
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- originalFrom?: number | undefined;
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- originalTo?: number | undefined;
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+ nbAtoms?: number;
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+ diaIDs?: string[];
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+ originalFrom?: number;
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+ originalTo?: number;
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  };
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  id: string;
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- assignment?: string | undefined;
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+ assignment?: string;
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  }[];
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  export declare function markSolventPeaks<T extends NMRRange>(input: T[], solventSignals: NMRSignal1D[], options?: any): T[];
@@ -2460,11 +2467,11 @@ export declare function matrixToBoxPlot(input: NumberArray[], options?: {
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  colors?: string[];
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  }): {
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  color: any[];
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- max: NumberArray;
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- min: NumberArray;
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- median: NumberArray;
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- q1: NumberArray;
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- q3: NumberArray;
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+ max: Float64Array;
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+ min: Float64Array;
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+ median: Float64Array;
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+ q1: Float64Array;
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+ q3: Float64Array;
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  };
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  export declare function matrixToStocsy(matrix: NumberArray[], index: number, options?: MatrixToStocsyOptions): {
@@ -3482,11 +3489,7 @@ export declare function signalsToFID(signals: NMRSignal1D[], options: SignalsToF
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  re: DoubleArray;
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  im: DoubleArray;
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  } | {
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- re: DoubleArray; /**
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- * at the end of the superposition of all component, an exponential apodization will be applied
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- * in order to have FID like shape.
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- * @default 1
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- */
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+ re: DoubleArray;
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  im: DoubleArray;
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  };
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