nmr-processing 14.0.6 → 15.0.0

package/nmr-processing.d.ts

@@ -1,4 +1,6 @@
+import { AnalizeMultipletOptions } from 'multiplet-analysis';
 import { BaseRegression } from 'ml-regression-base';
+import { DataXReIm } from 'ml-spectra-processing';
 import { DataXY } from 'cheminfo-types';
 import { DoubleArray } from 'cheminfo-types';
 import { ExponentialRegression } from 'ml-regression-exponential';
@@ -396,6 +398,8 @@ export declare interface DataResurrect {
     parts: string[];
 }
 
+export declare type DataXReOptionalIm = Omit<DataXReIm, 'im'> & Partial<Pick<DataXReIm, 'im'>>;
+
 export declare const DatumKind: {
     signal: string;
     mixed: string;
@@ -1693,22 +1697,23 @@ export declare interface PredictCarbonOptions {
 declare interface PredictCOSYOptions {
     /**
      * maximum number of bonds to take into account.
-     * @default 3
      */
     maxLength?: number;
     /**
      * minimum number of bonds to take into account
-     * @default 2
      */
     minLength?: number;
+    /**
+     * minimum scalar coupling in Hz to draw the cross-peak
+     * @default 1.5
+     */
+    minCoupling?: number;
     /**
      * signals with euclidean distance in ppm less than this it will
      * joined into a zone.
-     * @default {H:0.05,C:0.5}
      */
     joinDistance?: {
         H: number;
-        C: number;
     };
     /**
      * mono dimensional signal to generate the bidimenionals cross peaks.
@@ -1763,7 +1768,6 @@ declare interface PredictHMBCOptions {
     /**
      * signals with euclidean distance in ppm less than this it will
      * joined into a zone.
-     * @default {H:0.05,C:0.5}
      */
     joinDistance?: {
         H: number;
@@ -1846,7 +1850,7 @@ export declare interface PredictionBase2D {
  * or an empty value (empty string, null, or undefined) if no cache entry is found.
  * When the function is called with two parameters, the second parameter is the value that should be put in the cache.
  */
-declare type PredictionCacheFn = (id: string, result?: PredictionBase1D) => CacheResult;
+declare type PredictionCacheFn = (topicMolecule: TopicMolecule, result?: PredictionBase1D) => CacheResult;
 
 export declare interface PredictionOptionsByExperiment {
     H?: Partial<PredictProtonOptions>;
@@ -2575,6 +2579,21 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
      predicted: Float64Array;
  };
 
+ export declare interface XreimMultipletAnalysis {
+     analyzer?: AnalizeMultipletOptions;
+     autoPhase?: boolean;
+ }
+
+ /**
+  * Determination of J couplings by recursive deconvolution in the frequency domain,
+  * it use the method published by Damien Jeannerat and Geoffrey Bodenhausen @link{https://doi.org/10.1006/jmre.1999.1845}
+  */
+ export declare function xreimMultipletAnalysis(
+ /**
+  * Imaginary data is optional for auto phase correction of the region before the analysis.
+  */
+ data: DataXReOptionalIm, options?: XreimMultipletAnalysis): any;
+
  export declare function xyAutoPeaksPicking(data: DataXY<Float64Array>, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithShapeID[];
 
  /**