ml-spectra-fitting
Advanced tools
ml-spectra-fitting - npm Package Compare versions
Comparing version 0.13.0 to 1.0.0
| # Changelog | ||
| ## [1.0.0](https://www.github.com/mljs/spectra-fitting/compare/v0.13.0...v1.0.0) (2021-03-24) | ||
| ### Bug Fixes | ||
| * update readme and dependencies ([c512ea3](https://www.github.com/mljs/spectra-fitting/commit/c512ea3d6e3a848d67c64700fde3f7d577221d09)) | ||
| ## [0.13.0](https://www.github.com/mljs/spectra-fitting/compare/v0.12.0...v0.13.0) (2021-01-21) | ||
@@ -4,0 +11,0 @@ |
| { | ||
| "name": "ml-spectra-fitting", | ||
| "version": "0.13.0", | ||
| "version": "1.0.0", | ||
| "description": "Fit spectra using gaussian or lorentzian", | ||
@@ -49,22 +49,19 @@ "main": "lib/index.js", | ||
| "devDependencies": { | ||
| "@babel/plugin-transform-modules-commonjs": "^7.12.1", | ||
| "@types/jest": "^26.0.15", | ||
| "cheminfo-build": "^1.1.8", | ||
| "eslint": "^7.12.1", | ||
| "eslint-config-cheminfo": "^5.2.2", | ||
| "eslint-plugin-import": "^2.22.1", | ||
| "eslint-plugin-jest": "^24.1.0", | ||
| "eslint-plugin-prettier": "^3.1.4", | ||
| "@babel/plugin-transform-modules-commonjs": "^7.13.8", | ||
| "@types/jest": "^26.0.21", | ||
| "cheminfo-build": "^1.1.10", | ||
| "eslint": "^7.22.0", | ||
| "eslint-config-cheminfo": "^5.2.3", | ||
| "esm": "^3.2.25", | ||
| "jest": "^26.6.3", | ||
| "prettier": "^2.1.2", | ||
| "rollup": "^2.33.1", | ||
| "spectrum-generator": "^4.4.1" | ||
| "prettier": "^2.2.1", | ||
| "rollup": "^2.42.3", | ||
| "spectrum-generator": "^4.7.0" | ||
| }, | ||
| "dependencies": { | ||
| "assign-deep": "^1.0.1", | ||
| "ml-array-max": "^1.2.0", | ||
| "ml-levenberg-marquardt": "3.1.0", | ||
| "ml-peak-shape-generator": "^0.12.0" | ||
| "ml-array-max": "^1.2.2", | ||
| "ml-levenberg-marquardt": "^3.1.0", | ||
| "ml-peak-shape-generator": "^1.0.0" | ||
| } | ||
| } |
@@ -1,6 +0,6 @@ | ||
| [![NPM version][npm-image]][npm-url] [![npm download][download-image]][download-url] | ||
| # ml-spectra-fitting | ||
| Curve fitting method in javascript. | ||
| [![NPM version][npm-image]][npm-url] | ||
| [![build status][ci-image]][ci-url] | ||
| [![npm download][download-image]][download-url] | ||
@@ -18,5 +18,4 @@ This is a spectra fitting package to optimize the position (x), max intensity (y), full width at half maximum (FWHM = width) and the ratio of gaussian contribution (mu) if it's required. It supports three kind of shapes: | ||
| | <img src="https://tex.cheminfo.org/?tex=%5Cdelta%20%3D%20%5Cleft(t%20-%20x%5Cright)%5E2%0A"/> | <img src="https://tex.cheminfo.org/?tex=%5Csigma%20%3D%20%5Cfrac%7Bwidth%7D%7B2%5Csqrt%7B2%20%5Ccdot%20Ln(2)%7D%7D"/> | <img src="https://tex.cheminfo.org/?tex=%5Cgamma%3D%5Cleft(width%5Cright)%5E2"/> | | ||
| | --------------------------------------------------------------------------------------------- | :--------------------------------------------------------------------------------------------------------------------: | :--------------------------------------------------------------------------------------------------- | | ||
| | --------------------------------------------------------------------------------------------- | :-------------------------------------------------------------------------------------------------------------------: | :------------------------------------------------------------------------------- | | ||
| It is a wrapper of [ml-levenberg-marquardt](https://github.com/mljs/levenberg-marquardt) | ||
@@ -41,5 +40,4 @@ | ||
| ]; | ||
| const data = generateSpectrum(peaks, {from: -1, to: 1, nbPoints: 41}); | ||
| const data = generateSpectrum(peaks, { from: -1, to: 1, nbPoints: 41 }); | ||
| //the approximate values to be optimized, It could come from a peak picking with ml-gsd | ||
@@ -107,3 +105,3 @@ let peaks = [ | ||
| length: 50001, | ||
| factor: 5 | ||
| factor: 5, | ||
| }, | ||
@@ -116,3 +114,3 @@ }, | ||
| let data = generator.getSpectrum(); | ||
| console.log(JSON.stringify({x: Array.from(data.x), y: Array.from(data.y)})) | ||
| console.log(JSON.stringify({ x: Array.from(data.x), y: Array.from(data.y) })); | ||
| //the approximate values to be optimized, It could coming from a peak picking with ml-gsd | ||
@@ -163,5 +161,7 @@ let peaks = [ | ||
| [npm-image]: https://img.shields.io/npm/v/ml-spectra-fitting.svg?style=flat-square | ||
| [npm-image]: https://img.shields.io/npm/v/ml-spectra-fitting.svg | ||
| [npm-url]: https://npmjs.org/package/ml-spectra-fitting | ||
| [download-image]: https://img.shields.io/npm/dm/ml-spectra-fitting.svg?style=flat-square | ||
| [ci-image]: https://github.com/mljs/spectra-fitting/workflows/Node.js%20CI/badge.svg?branch=master | ||
| [ci-url]: https://github.com/mljs/spectra-fitting/actions?query=workflow%3A%22Node.js+CI%22 | ||
| [download-image]: https://img.shields.io/npm/dm/ml-spectra-fitting.svg | ||
| [download-url]: https://npmjs.org/package/ml-spectra-fitting |
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Fixed alerts
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Improved metrics
- Total package byte prevSize
- increased by0.65%
42267
- Dev dependency count
- decreased by-23.08%
10
- Number of low quality alerts
- decreased by-100%
0
- Number of medium supply chain risk alerts
- decreased by-100%
0
Dependency changes
+ Addedis-any-array@1.0.1(transitive)
+ Addedml-levenberg-marquardt@3.1.1(transitive)
+ Addedml-peak-shape-generator@1.0.0(transitive)
- Removedis-any-array@0.1.1(transitive)
- Removedml-levenberg-marquardt@3.1.0(transitive)
- Removedml-peak-shape-generator@0.12.0(transitive)
Updatedml-array-max@^1.2.2