nmr-processing 22.8.4 → 22.9.0

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@@ -265,7 +265,7 @@ export declare interface BaselineZoneOptions {
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  minWidth?: number;
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  }
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- declare interface BaselineZoneOptionsDietrich extends BaselineZoneOptions {
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+ export declare interface BaselineZoneOptionsDietrich extends BaselineZoneOptions {
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  /**
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  * distance in number of points to join zones
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  */
@@ -885,6 +885,14 @@ export declare interface GetAutoAssignmentInput {
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  molecule: Molecule;
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  }
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+ /**
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+ * Compute baseline zones using Dietrich method and convert them to anchors.
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+ * Defaults: `numAnchors = 10`, `algorithm = 'median'`.
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+ */
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+ export declare function getBaselineAnchors(data: NmrData1D, options?: GetBaselineAnchrosOptions): DataXY;
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+
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+ export declare type GetBaselineAnchrosOptions = SelectAnchorOptions & BaselineZoneOptionsDietrich;
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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
@@ -2075,6 +2083,24 @@ export declare interface ResurrectOptions {
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  logger?: Logger;
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  }
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+ declare interface SelectAnchorOptions {
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+ /**
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+ * The number of anchors to select.
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+ *
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+ * Must be a positive integer.
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+ * @default 10
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+ */
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+ numAnchors?: number;
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+ /**
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+ * Window size (in number of points) used by the 'median' algorithm when
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+ * computing the median around each target x value.
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+ *
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+ * If omitted, a sensible default of `Math.max(1, Math.floor(y.length / 100))`
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+ * is used inside the function.
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+ */
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+ windowSize?: number;
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+ }
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+
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  declare type Shape1DWithFWHM = Omit<Shape1D, 'fwhm'> & {
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  fwhm: number;
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  };
@@ -2665,6 +2691,11 @@ export declare class XYAutoPeaksPickingWindowSizeError extends Error {
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  */
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  export declare function xyAutoRangesPicking(data: DataXY<Float64Array>, options: OptionsXYAutoRangesPicking): NMRRange[];
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+ export declare function xyBaselineCalculation({ x, y }: {
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+ x: Float64Array;
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+ y: Float64Array;
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+ }, options: BaselineCorrectionOptions): Float64Array | number[];
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+
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  /**
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  * Estimate the diffusion coefficient of an independent component by fitting of imput data with the Stejskal–Tanner equation.
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  * @param data