nmr-processing 11.5.0 → 11.5.1-pre.1699535415

package/nmr-processing.d.ts

@@ -14,6 +14,7 @@ import { Molecule } from 'openchemlib/full';
 import { NmrData1D } from 'cheminfo-types';
 import { NmrData2D } from 'cheminfo-types';
 import { NmrData2DContent } from 'cheminfo-types';
+import { NmrData2DFt } from 'cheminfo-types';
 import { Nuclei } from 'gyromagnetic-ratio';
 import { OCLMolecule } from 'cheminfo-types';
 import { OptimizePeaksOptions } from 'ml-gsd';
@@ -181,6 +182,8 @@ export declare function checkMultiplet(string: string, rejected?: string[]): boo
  */
 export declare function checkMultiplicity(multiplicity: string, rejected?: string[]): boolean;
 
+export declare function checkNmrData2DRrIr(data: NmrData2DFt): asserts data is NmrData2DRrIr;
+
 declare function checkRangeKind(range: Range_2): boolean;
 
 declare function checkSignalKinds(range: Range_2, kinds: string[]): boolean;
@@ -282,13 +285,14 @@ declare type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
     data: Required<NmrData1D>;
 };
 
-declare interface Entry2D {
+declare interface Entry2D<T extends NmrData2D = NmrData2D> {
     id?: string;
     zones: Zones;
     info: Record<string, any>;
+    customInfo?: Record<string, any>;
     originalInfo?: Record<string, any>;
-    data: NmrData2D;
-    originalData?: NmrData2D;
+    data: T;
+    originalData?: T;
     filters: Filter[];
 }
 
@@ -2372,6 +2376,8 @@ export declare interface MultipletDefinition {
 
 export declare const MultiplicityPatterns: MultipletDefinition[];
 
+export declare type NmrData2DRrIr = Required<Pick<NmrData2DFt, 'rr' | 'ir'>>;
+
 export declare interface NMRPeak1D extends PeakXYWidth {
     id?: string;
     kind?: string;
@@ -2731,6 +2737,15 @@ export declare interface PeaksToXYOptions extends OptionsSG1D {
 
 export declare function peakToXY(peak: NMRPeak1D, options: PeaksToXYOptions): DataXY<Float64Array>;
 
+export declare type PhaseCorrectionIndirectDimensionOptions = PhaseCorrectionOptions & {
+    quad?: 'imag' | 'real';
+};
+
+export declare interface PhaseCorrectionOptions {
+    ph0: number;
+    ph1: number;
+}
+
 export declare interface PhaseCorrectionParameters {
     ph0: number;
     ph1: number;
@@ -2970,6 +2985,8 @@ declare type Properties = ListField | SelectField | StringField | NumberField |
 
 export declare const protonImpurities: DatabaseNMREntry[];
 
+declare type Quadrants = 'rr' | 'ir' | 'ri' | 'ii';
+
 declare interface Range_2 extends Omit<NMRRange, 'signals' | 'id'> {
     id: string;
     originalFrom?: number;
@@ -3761,6 +3778,10 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
      getZones?: boolean;
  }
 
+ export declare function xyzPhaseCorrectionDirectDimension(data: NmrData2DFt, options: PhaseCorrectionOptions): Required<Pick<NmrData2DFt, "rr" | "ir">> & Partial<NmrData2DFt>;
+
+ export declare function xyzPhaseCorrectionIndirectDimension(data: NmrData2DFt, options: PhaseCorrectionIndirectDimensionOptions): (Required<Pick<NmrData2DFt, Quadrants>> & Partial<NmrData2DFt>) | undefined;
+
  export declare interface ZeroFillingOptions {
      nbPoints?: number;
      factor?: number;