nmr-processing 12.6.0 → 12.7.0

package/nmr-processing.d.ts

@@ -601,6 +601,12 @@ export declare interface GetAutoAssignmentInput {
  */
 export declare function getBaselineZones(data: NmrData1D, options?: BaselineZoneOptions): BaselineCorrectionZone[];
 
+/**
+ * Generate baseline zones by Dietrich method, it uses an iterative thresholding to discard signals zones over a power spectrum.
+ * the implementation is based on the publication of Cobas et al (DOI: {@link https://doi.org/10.1016/j.jmr.2006.07.013})
+ */
+export declare function getBaselineZonesByDietrich(data: NmrData1D): BaselineCorrectionZone[];
+
 export declare function getDatabase(url?: string, options?: {
     /**
      * @default 'tsv'
@@ -649,6 +655,17 @@ export declare interface GetPeakListOptions extends GSDOptions, OptimizePeaksOpt
     maxAbsDdY?: number;
 }
 
+/**
+ * Prediction cache function that saves and loads predictions from the file system.
+ * @param cacheFolder
+ * @returns
+ */
+export declare function getPredictionFSCache(cacheFolder: string, options?: GetPredictionFSCacheOptions): PredictionCacheFn;
+
+declare interface GetPredictionFSCacheOptions {
+    throwIfNotInCache?: boolean;
+}
+
 export declare function getShiftX(spectrum: Entry1D): number;
 
 export declare const impurities: SolventImpurities;
@@ -2931,7 +2948,7 @@ export declare interface PolynomialOptions {
 }
 
 /**
- * Generate the correlation bidimensional nmr peaks based on the number of bonds between a pair of atoms
+ * Generate the 2D correlation nmr peaks based on the number of bonds between a pair of atoms
  * @returns {Promise<object>} - object with molfile, diaIDs, 1D and 2D signals, joined signals, ranges and zones.
  */
 export declare function predict(molecule: Molecule, options?: PredictAllOptions): Promise<Predicted>;
@@ -2973,7 +2990,8 @@ export declare interface PredictCarbonOptions {
      */
     maxSphereSize?: number;
     /**
-     * Predictor function.
+     * Predictor function that will use by default: 'https://nmr-prediction.service.zakodium.com/v1/predict/carbon'
+     * @default defaultCarbonPredictor
      */
     predictor?: PredictorFn;
     /**
@@ -3155,7 +3173,8 @@ declare type PredictorFn = (topicMolecule: TopicMolecule) => Promise<PredictionB
 
 export declare interface PredictProtonOptions {
     /**
-     * Predictor function.
+     * Predictor function. Will use by default webservice: https://nmr-prediction.service.zakodium.com/v1/predict/proton
+     * @default defaultProtonPredictor
      */
     predictor?: PredictorFn;
     /**