ml-gsd/lib/gsd.d.ts

Global Spectral Deconvolution

import type { DataXY } from 'cheminfo-types';
import type { SGGOptions } from 'ml-savitzky-golay-generalized';
import type { GSDPeak } from './GSDPeak.ts';
import type { MakeMandatory } from './utils/MakeMandatory.ts';
export interface GSDOptions {
    /**
     * Options for the Savitzky-Golay generalised algorithm. This algorithm is used
     * to calculate the first ans second derivative.
     * It is also used when smoothY:true to smooth the spectrum for peak picking.
     * The Y values in case of smoothY is true will therefore be lower.
     * @default {windowSize:9,polynomial:3}
     */
    sgOptions?: SGGOptions;
    /**
     * Select the peak intensities from a smoothed version of the independent variables
     * @default false
     */
    smoothY?: boolean;
    /**
     * Peaks are local maxima (true) or minima (false)
     * @default true
     */
    maxCriteria?: boolean;
    /**
     * Peak under the noiseLevel (or over in case of maxCriteria=false) are ignored.
     */
    noiseLevel?: number;
    /**
     * Minimal height of small peaks based on the ratio between min and max
     * @default 0.00025
     */
    minMaxRatio?: number;
    /**
     * Use a quadratic optimizations with the peak and its 3 closest neighbors
     * @default false
     */
    realTopDetection?: boolean;
    /**
     * Algorithm used for peak detection:
     * - 'first': Uses the first derivative to detect peaks, detecting only
     *            the peaks which first derivative cross the zero.
     * - 'second': Uses the second derivative to detect peaks (inflection points).
     * - 'auto': Automatically selects the peaks by checking the zero crossing of the first derivative
     *           or the local minima in the second derivative.
     * @default 'second'
     */
    peakDetectionAlgorithm?: 'first' | 'second' | 'auto';
}
export type GSDPeakID = MakeMandatory<GSDPeak, 'id'>;
/**
 * Global spectra deconvolution
 * @param  data - Object data with x and y arrays. Values in x has to be growing
 * @param options
 * @param {number} [options.broadRatio = 0.00] - If `broadRatio` is higher than 0, then all the peaks which second derivative
 * smaller than `broadRatio * maxAbsSecondDerivative` will be marked with the soft mask equal to true.
 */
export declare function gsd(data: DataXY, options?: GSDOptions): GSDPeakID[];
//# sourceMappingURL=gsd.d.ts.map