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ml-peak-shape-generator

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Readme

ml-peak-shape-generator

Generate various peak shapes.

The current supported kinds of shapes:

Name	Equation
Gaussian	$y\cdot exp\left[-\frac{1}{2}\frac{\delta}{\sigma^2}\right]$
Lorentzian	$y\cdot\frac{\omega^2}{4\delta + \omega^2}$
Pseudo Voigt	$y \cdot\left[x_g\cdot exp\left[-\frac{1}{2}\frac{\delta}{\sigma^2}\right] + x_l\cdot\frac{\omega^2}{4\delta + \omega^2}\right]$

where

$\delta = \left(t - x\right)^2$	$\sigma = \frac{width}{2\sqrt{2 \cdot ln(2)}}$	$\omega = width$

Installation

$ npm i ml-peak-shape-generator

Usage

import { gaussian, lorentzian, pseudoVoigt} from 'ml-peak-shape-generator';

// It's possible to specify the windows size with factor option
let data = gaussian.getData({factor: 3.5, sd: 500});
// or fix the number of points as Full Width at Half Maximum
let data = gaussian.getData({factor: 3.5, fwhm: 500});

// It's possible to specify the windows size with factor option
let data = loretzian.getData({factor: 5, fwhm: 500});

// It's possible to specify the windows size with factor option
let data = pseudoVoigt.getData({factor: 5, fwhm: 500});

It is also possible to take an instance of each kind of shape:

import { gaussian, gaussian2D } from 'ml-peak-shape-shape';

const gaussianShape = new gaussian.Gaussian({ fwhm: 500, factor: 3.5, height: 1});
// It is possible to set a new value for fwhm and height
gaussianShape.fwhm = 300;
gaussianShape.height = 2;

// By default the height value ensure a surface/area equal 1.
const gaussian2DShape = new gaussian2D.Gaussian2D({ fwhm: 500, factor: 3.5});

// It is possible to set values for sd, fwhm and factor for each axes.
const gaussian2DShape = new gaussian2D.Gaussian2D({ fwhm: { x: 300, y: 500 }, factor: 3.5});

// It is possible to set new value for fwhm by:
gaussian2D.fwhm = { x: 300, y: 500 };
// or set the same value for both axes.
gaussian2D.fwhm = 400;

//An instance of any shape has the same methods accessible for each 
//shape e.g. fct or getData, but these use the internal parameters. e.g:

const gaussianShape = new gaussian.Gaussian({ fwhm: 500 });
gaussianShape.fct(5);
gaussian.fct(5, 500);

import { getShape1D, getShape2D } from 'ml-peak-shape-generator';

// If you want to dynamically select a shape you can use the `getShapeGenerator` method. It returns a instance of required kind of shape.

let shapeGenerator = getShape1D('lorentzian', {factor: 3.5, sd: 500});
let shapeGenerator = getShape2D('gaussian2D', {factor: 3.5, sd: 500});

It is also possible to get a function that allows to calculate y for any x

import { gaussian } from 'ml-peak-shape-generator';
const func = gaussian.fct(x - mean, fwhm);

API Documentation

License

MIT