nmr-processing 11.11.0 → 11.11.1-pre.1709824354

package/nmr-processing.d.ts

@@ -623,6 +623,11 @@ export declare interface GetPeakListOptions extends GSDOptions, OptimizePeaksOpt
      * frequency used to convert width and fwhm to Hz
      */
     frequency: number;
+    /**
+     * maximum absolute value of the second derivative of the intensity array, if it is not passed
+     * the function will calculate it.
+     */
+    maxAbsDdY?: number;
 }
 
 export declare function getShiftX(spectrum: Entry1D): number;
@@ -3123,7 +3128,7 @@ export declare function rangeFromSignal(signal: NMRSignal1D, options?: RangeFrom
 export declare interface RangeFromSignalOptions {
     /**
      * nucleus
-     * @default '1h'
+     * @default '1H'
      */
     nucleus?: string;
     /**
@@ -3132,7 +3137,7 @@ export declare interface RangeFromSignalOptions {
      */
     frequency?: number;
     /**
-     * tolerance to the halfWidth, default depends of the nucleus
+     * tolerance to the halfWidth, default depends on the nucleus
      */
     tolerance?: number;
 }
@@ -3179,11 +3184,21 @@ export declare interface RangesToACSOptions {
     solvent?: string;
 }
 
-export declare function rangesToXY(ranges: NMRRange[], options?: any): {
-    x: DoubleArray;
+export declare function rangesToXY(ranges: NMRRange[], options?: RangesToXYOptions): {
+    x: Float64Array;
     y: Float64Array;
 };
 
+export declare interface RangesToXYOptions {
+    nucleus?: string;
+    frequency?: number;
+    nbPoints?: number;
+    lineWidth?: number;
+    shape?: Shape1D;
+    from?: number;
+    to?: number;
+}
+
 export declare interface RangeToXYOptions {
     /**
      * frequency observed
@@ -3406,7 +3421,11 @@ export declare function signalsToFID(signals: NMRSignal1D[], options: SignalsToF
     re: DoubleArray;
     im: DoubleArray;
 } | {
-    re: DoubleArray;
+    re: DoubleArray; /**
+    * at the end of the superposition of all component, an exponential apodization will be applied
+    * in order to have FID like shape.
+    * @default 1
+    */
     im: DoubleArray;
 };
 
@@ -3734,7 +3753,7 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
      predicted: Float64Array;
  };
 
- export declare function xyAutoPeaksPicking(data: DataXY, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithShapeID[];
+ export declare function xyAutoPeaksPicking(data: DataXY<Float64Array>, options: OptionsXYAutoPeaksPicking): NMRPeak1DWithShapeID[];
 
  /**
   * error for default windowSize computation
@@ -3748,7 +3767,7 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
  /**
   * Detect peaks, optimize parameters and compile multiplicity if required.
   */
- export declare function xyAutoRangesPicking(data: DataXY, options: OptionsXYAutoRangesPicking): NMRRange[];
+ export declare function xyAutoRangesPicking(data: DataXY<Float64Array>, options: OptionsXYAutoRangesPicking): NMRRange[];
 
  export declare function xyCalculateT1(data: DataXY, options?: CalculateT1Options): {
      relaxationT1: number;