nmr-processing 14.0.3 → 14.0.4-pre.1732331477

package/nmr-processing.d.ts

@@ -258,6 +258,21 @@ declare interface BooleanField extends Field<boolean> {
 
 declare type CacheResult = EmptyValue | PredictionBase1D | Promise<EmptyValue | PredictionBase1D>;
 
+export declare interface CalculateDiffussionCoefficientOptions {
+    /**
+     * gyromagnetic ratio, it is based in the nucleus
+     */
+    gyromagneticRatio: number;
+    /**
+     * pulse field gradient duraction, it assume that only the amplitude is variable.
+     */
+    gradientPulseDuration: number;
+    /**
+     * it depends of the experiment and include the diffusion time.
+     */
+    timeCorrection: number;
+}
+
 declare interface CalculateT1Options {
     optimization?: any;
 }
@@ -386,6 +401,16 @@ declare function deleteFilter(datum: Entry1D, id?: string): void;
 
 declare function deleteFilter_2(datum: Entry2D, id?: string): void;
 
+declare class DiffusionRegression extends BaseRegression {
+    coefficient: number;
+    signalAbsenseDiffussion: number;
+    gyromagneticRatio: number;
+    gradientPulseDuration: number;
+    timeCorrection: number;
+    constructor(coefficient: number, signalAbsenseDiffussion: number, options: CalculateDiffussionCoefficientOptions);
+    _predict(gradientAmplitude: number): number;
+}
+
 declare type DigitalFilter = FilterFactory<Entry1D, DigitalFilterOptions> & Pick<DigitalFilterOption, 'name'>;
 
 declare type DigitalFilter2D = FilterFactory<Entry2D, DigitalFilterOptions_2> & Pick<DigitalFilter2DOptions, 'name'>;
@@ -2541,6 +2566,20 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
   */
  export declare function xyAutoRangesPicking(data: DataXY<Float64Array>, options: OptionsXYAutoRangesPicking): NMRRange[];
 
+ /**
+  * Estimate the diffusion coefficient of an independent component by fitting of imput data with the Stejskal–Tanner equation.
+  */
+ export declare function xyCalculateDiffussionCoefficient(
+ /**
+  * x is the amplitude of the pulse field gradient
+  * y is the exponential decay signal.
+  */
+ data: DataXY, options: CalculateDiffussionCoefficientOptions): {
+     regression: DiffusionRegression;
+     coefficient: number;
+     signalAbsenseDiffussion: number;
+ };
+
  export declare function xyCalculateT1(data: DataXY, options?: CalculateT1Options): {
      relaxationT1: number;
      fullMagnetization: number;