nmr-processing 12.9.1 → 12.10.1
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 +3 -3
- package/nmr-processing.d.ts +11 -6
- package/nmr-processing.mjs +3 -3
- package/package.json +2 -2
package/nmr-processing.d.ts
CHANGED
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@@ -9,6 +9,7 @@ import { GSDOptions } from 'ml-gsd';
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9
9
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import { GSDPeakOptimized } from 'ml-gsd';
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10
10
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import { GSDPeakOptimizedID } from 'ml-gsd';
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11
11
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import { JoinBroadPeaksOptions } from 'ml-gsd';
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12
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+
import type { LightLogger } from 'cheminfo-types';
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import { Logger } from 'cheminfo-types';
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import { Matrix } from 'ml-matrix';
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import * as matrixPeakFinders from 'ml-matrix-peaks-finder';
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@@ -160,7 +161,7 @@ export declare interface BaselineCorrectionZone {
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id: string;
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}
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-
declare interface BaselineZoneOptions {
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+
export declare interface BaselineZoneOptions {
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/**
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* The width factor to use to enlarge the peaks width
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* @default 20
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@@ -188,6 +189,13 @@ declare interface BaselineZoneOptions {
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minWidth?: number;
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}
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+
declare interface BaselineZoneOptionsDietrich extends BaselineZoneOptions {
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/**
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* distance in number of points to join zones
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*/
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maxDistanceToJoin?: number;
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}
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+
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declare interface BasePeak {
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id: string;
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}
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@@ -268,6 +276,7 @@ export declare function ctParser(sdf: string, csv: string, options: {
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OCL: {
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Molecule: typeof Molecule_2;
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};
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logger?: LightLogger;
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}): {
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molecules: ParsedMolecule[];
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sections: Record<string, any>;
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@@ -616,11 +625,7 @@ export declare function getBaselineZones(data: NmrData1D, options?: BaselineZone
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* Generate baseline zones by Dietrich method, it uses an iterative thresholding to discard signals zones over a power spectrum.
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* the implementation is based on the publication of Cobas et al (DOI: {@link https://doi.org/10.1016/j.jmr.2006.07.013})
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*/
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619
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-
export declare function getBaselineZonesByDietrich(data: NmrData1D, options?:
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-
maxDistanceToJoin?: number;
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621
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minWidth?: number;
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-
nbZones?: number;
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-
}): BaselineCorrectionZone[];
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export declare function getBaselineZonesByDietrich(data: NmrData1D, options?: BaselineZoneOptionsDietrich): BaselineCorrectionZone[];
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export declare function getDatabase(url?: string, options?: {
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/**
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