nmr-processing 12.3.2 → 12.5.0
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/nmr-processing.cjs +1 -1
- package/nmr-processing.d.ts +47 -44
- package/nmr-processing.mjs +1 -1
- package/package.json +12 -11
package/nmr-processing.d.ts
CHANGED
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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,
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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;
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@@ -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[]
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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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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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-
}
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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
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shape?: Shape1D
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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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}[];
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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
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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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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): {
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@@ -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
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originalY?: number
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originalZ?: number
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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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}
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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
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diaIDs?: string[]
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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
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diaIDs?: string[]
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nbAtoms?: number;
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diaIDs?: string[];
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};
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sign?: number
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sign?: number;
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j?: {
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pathLength?: number | FromTo
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}
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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
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diaIDs?: string[]
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originalFrom?: number
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originalTo?: number
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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
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diaIDs?: string[]
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originalFrom?: number
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originalTo?: number
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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
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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[];
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@@ -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:
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min:
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median:
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q1:
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q3:
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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): {
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@@ -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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