nmr-processing 11.6.0 → 11.7.0

package/nmr-processing.d.ts

@@ -426,6 +426,8 @@ export declare interface Get13CAssignmentsOptions {
     predictionOptions?: PredictCarbonOptions;
 }
 
+export declare function get1DErrorFactor(spectrum: Entry1D): number;
+
 export declare function get1HAssignments(ranges: NMRRange[], molecule: Molecule, options?: Get1HAssignmentsOptions): Promise<{
     score: any;
     assignment: unknown[];
@@ -459,6 +461,8 @@ export declare interface Get1HAssignmentsOptions {
     predictionOptions?: PredictProtonOptions;
 }
 
+export declare function get2DErrorFactor(spectrum: Entry2D): Zone2DError;
+
 export declare function getAssignments(input: GetAutoAssignmentInput, options?: GetAssignmentsOptions): Promise<{
     score: any;
     assignment: SpectraDataWithIds[];
@@ -562,8 +566,6 @@ export declare interface GetPeakListOptions extends GSDOptions, OptimizePeaksOpt
 
 export declare function getShiftX(spectrum: Entry1D): number;
 
-export declare function getSpectrumErrorValue(spectrum: Entry1D): number;
-
 export declare const impurities: SolventImpurities;
 
 declare const impuritiesContent: {
@@ -2150,6 +2152,10 @@ export declare function isEmptyMolecule(molecule: Molecule): boolean;
 
 export declare function isMolfileNotEmpty(molFile?: string): molFile is string;
 
+export declare function isRangeExists(range: Pick<Range_2, 'from' | 'to'>, spectrum: Entry1D, error: number): true | undefined;
+
+export declare function isZoneExists(zone: Pick<Zone, 'x' | 'y'>, spectrum: Entry2D, error: Zone2DError): boolean;
+
 declare interface JAxisKeys {
     [key: string]: string;
     jAxis: string;
@@ -2270,6 +2276,7 @@ export declare function mapRanges(ranges: Range_2[] | NMRRange[], spectrum: Entr
     nbAtoms?: number | undefined;
     multiplicity?: string | undefined;
     diaIDs?: string[] | undefined;
+    assignment?: string | undefined;
     pubIntegral?: number | undefined;
 }[];
 
@@ -2393,6 +2400,7 @@ export declare interface NMRRange {
     from: number;
     to: number;
     id?: string;
+    assignment?: string;
     diaIDs?: string[];
     kind?: string;
     pubIntegral?: number;
@@ -2465,7 +2473,7 @@ declare interface NMRZoneWithIds extends Omit<NMRZone, 'signals' | 'id'> {
 /**
  * The idea is to convert nucleus name like H1, proton or Fluorine19 to 1H and 19F.
  */
-export declare function normalizeNucleus(name: string): string;
+export declare function normalizeNucleus(nucleus: string): string;
 
 export { Nuclei }
 
@@ -2589,6 +2597,11 @@ declare interface OptionsPeaksToRanges {
      * @default '1H'
      */
     nucleus?: string;
+    /**
+     * ratio of heights between the extreme peaks
+     * @default 1.5
+     */
+    symRatio?: number;
 }
 
 export declare interface OptionsSignalsToXY {
@@ -3792,6 +3805,11 @@ declare function unlink(range: Range_2, options?: UnlinkOptions): Range_2;
      kind?: string;
  }
 
+ export declare interface Zone2DError {
+     x: number;
+     y: number;
+ }
+
  declare interface ZoneAxis extends FromTo {
      nbAtoms?: number;
      diaIDs?: string[];