nmr-processing 11.8.0 → 11.9.0

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@@ -151,6 +151,29 @@ export declare interface BaselineCorrectionZone {
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  id: string;
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  }
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+ declare interface BaselineZoneOptions {
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+ /**
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+ * The width factor to use to enlarge the peaks width
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+ * @default 20
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+ */
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+ widthFactor?: number;
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+ /**
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+ * The number of zones to find
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+ * @default 5
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+ */
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+ nbZones?: number;
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+ /**
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+ * The space (in percent) from the side that should not be considered
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+ * @default 0.05
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+ */
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+ padding?: 0.05;
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+ /**
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+ * The tolerance (in percent) to select the zone in which the more points are present
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+ * @default 0.05
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+ */
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+ tolerance?: 0.05;
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+ }
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+
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  declare interface BasePeak {
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  id: string;
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  }
@@ -244,10 +267,11 @@ export declare interface DataReIm {
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  }
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  export declare interface DataResurrect {
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- experiment: {
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+ info: {
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  solvent?: string;
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- frequency?: number;
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- nucleus?: string;
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+ frequency: number;
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+ dimension: 1;
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+ nucleus: string;
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  };
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  ranges: NMRRange[];
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  acsString: string;
@@ -521,6 +545,14 @@ export declare interface GetAutoAssignmentInput {
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  molecule: Molecule;
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  }
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+ /**
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+ * Need to find where is the baseline (so in fact only noise)
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+ * The approach is to find the peaks using GSD and then to enlarge the peaks
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+ * to determine the zones where the baseline is not present
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+ * @param data
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+ */
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+ export declare function getBaselineZones(data: NmrData1D, options?: BaselineZoneOptions): BaselineCorrectionZone[];
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+
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  export declare function getDatabase(url?: string, options?: {
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  /**
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  * @default 'tsv'
@@ -3141,12 +3173,12 @@ declare interface RestrictionByCS1D {
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  useChemicalShiftScore: boolean;
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  }
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- export declare interface ResurectOptions {
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+ export declare function resurrect(acsString: string, options?: ResurrectOptions): DataResurrect;
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+
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+ export declare interface ResurrectOptions {
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  logger?: Logger;
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  }
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- export declare function resurrect(acsString: string, options?: ResurectOptions): any;
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-
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  declare interface SelectField extends Field<any> {
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  type: 'select';
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  choices: any[];