nmr-processing 12.6.0 → 12.7.1
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 +1 -1
- package/nmr-processing.d.ts +11 -3
- package/nmr-processing.mjs +1 -1
- package/package.json +2 -1
package/nmr-processing.d.ts
CHANGED
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@@ -601,6 +601,12 @@ export declare interface GetAutoAssignmentInput {
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*/
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export declare function getBaselineZones(data: NmrData1D, options?: BaselineZoneOptions): BaselineCorrectionZone[];
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/**
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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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export declare function getBaselineZonesByDietrich(data: NmrData1D): BaselineCorrectionZone[];
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+
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export declare function getDatabase(url?: string, options?: {
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/**
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* @default 'tsv'
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@@ -2931,7 +2937,7 @@ export declare interface PolynomialOptions {
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}
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/**
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* Generate the correlation
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* Generate the 2D correlation nmr peaks based on the number of bonds between a pair of atoms
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* @returns {Promise<object>} - object with molfile, diaIDs, 1D and 2D signals, joined signals, ranges and zones.
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*/
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export declare function predict(molecule: Molecule, options?: PredictAllOptions): Promise<Predicted>;
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@@ -2973,7 +2979,8 @@ export declare interface PredictCarbonOptions {
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*/
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maxSphereSize?: number;
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/**
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* Predictor function.
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* Predictor function that will use by default: 'https://nmr-prediction.service.zakodium.com/v1/predict/carbon'
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* @default defaultCarbonPredictor
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*/
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predictor?: PredictorFn;
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/**
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@@ -3155,7 +3162,8 @@ declare type PredictorFn = (topicMolecule: TopicMolecule) => Promise<PredictionB
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export declare interface PredictProtonOptions {
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/**
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* Predictor function.
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* Predictor function. Will use by default webservice: https://nmr-prediction.service.zakodium.com/v1/predict/proton
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* @default defaultProtonPredictor
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*/
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predictor?: PredictorFn;
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/**
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