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fix: update dependencies
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.github/workflows/documentationjs.yml

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name: Deploy documentation.js on GitHub pages
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on:
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workflow_dispatch:
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release:
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types: [published]
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.github/workflows/lactame.yml

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release:
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types: [published]
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env:
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NODE_VERSION: 14.x
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jobs:
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deploy:
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- name: Get package name
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run: echo "PACKAGENAME=$(jq .name package.json | tr -d '"')" >> $GITHUB_ENV
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- uses: actions/setup-node@v2-beta
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run: echo "PACKAGE_NAME=$(jq .name package.json | tr -d '"')" >> $GITHUB_ENV
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- uses: actions/setup-node@v2
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with:
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node-version: 14.x
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node-version: ${{ env.NODE_VERSION }}
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- name: Install dependencies
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run: npm install
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- name: Build project
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uses: zakodium/lactame-action@v1
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with:
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token: ${{ secrets.LACTAME_TOKEN }}
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name: "${{env.PACKAGENAME}}"
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name: ${{ env.PACKAGE_NAME }}
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folder: dist

.github/workflows/nodejs.yml

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branches: master
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pull_request:
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env:
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NODE_VERSION: 14.x
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jobs:
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lint:
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- uses: actions/setup-node@v2-beta
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- uses: actions/setup-node@v2
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with:
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node-version: 14.x
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node-version: ${{ env.NODE_VERSION }}
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- name: Install dependencies
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run: npm install
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- name: Run ESLint
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strategy:
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matrix:
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node-version: [10.x, 12.x, 14.x, 15.x]
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fail-fast: false
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steps:
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- uses: actions/checkout@v2
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- name: Use Node.js ${{ matrix.node-version }}
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uses: actions/setup-node@v2-beta
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uses: actions/setup-node@v2
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with:
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node-version: ${{ matrix.node-version }}
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- name: Install dependencies

.github/workflows/release.yml

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branches:
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- master
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env:
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NODE_VERSION: 14.x
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jobs:
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release-please:
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runs-on: ubuntu-latest
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steps:
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- uses: GoogleCloudPlatform/[email protected]
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- name: Get package name
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run: echo "PACKAGE_NAME=$(jq .name package.json | tr -d '"')" >> $GITHUB_ENV
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- uses: GoogleCloudPlatform/release-please-action@v2
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id: release
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with:
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token: ${{ secrets.BOT_TOKEN }}
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release-type: node
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package-name: 'ml-gsd'
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package-name: ${{ env.PACKAGE_NAME }}
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bump-minor-pre-major: Yes
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- uses: actions/checkout@v2
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# These if statements ensure that a publication only occurs when a new release is created
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if: ${{ steps.release.outputs.release_created }}
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- uses: actions/setup-node@v2-beta
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- uses: actions/setup-node@v2
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with:
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node-version: 14.x
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node-version: ${{ env.NODE_VERSION }}
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registry-url: 'https://registry.npmjs.org'
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if: ${{ steps.release.outputs.release_created }}
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- run: npm install
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if: ${{ steps.release.outputs.release_created }}
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- run: npm publish
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- run: npm publish --access public
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env:
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NODE_AUTH_TOKEN: ${{ secrets.NPM_BOT_TOKEN }}
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if: ${{ steps.release.outputs.release_created }}

CHANGELOG.md

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### Miscellaneous Chores
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* update travis ([3120a4a](https://www.github.com/mljs/global-spectral-deconvolution/commit/3120a4a673d4d1826e92c3073a7803eef07b8d4b))
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# [5.0.0](https://github.com/mljs/global-spectral-deconvolution/compare/v4.0.0...v5.0.0) (2020-05-19)
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# [4.0.0](https://github.com/mljs/global-spectral-deconvolution/compare/v3.0.1...v4.0.0) (2020-03-20)
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### Features
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* broadenPeaks takes into account the inflection points if available ([d9302c7](https://github.com/mljs/global-spectral-deconvolution/commit/d9302c74a937f1202dc0898b0ca86bf684edf2c2))
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## [3.0.1](https://github.com/mljs/global-spectral-deconvolution/compare/v3.0.0...v3.0.1) (2020-02-28)
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# [3.0.0](https://github.com/mljs/global-spectral-deconvolution/compare/v2.0.6...v3.0.0) (2020-02-27)
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## [2.0.5](https://github.com/mljs/global-spectral-deconvolution/compare/v2.0.4...v2.0.5) (2019-01-09)
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## [2.0.4](https://github.com/mljs/global-spectral-deconvolution/compare/v2.0.3...v2.0.4) (2019-01-09)
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<a name="2.0.3"></a>
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## [2.0.3](https://github.com/mljs/global-spectral-deconvolution/compare/v2.0.2...v2.0.3) (2018-11-01)
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<a name="2.0.2"></a>
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## [2.0.2](https://github.com/mljs/global-spectral-deconvolution/compare/v2.0.1...v2.0.2) (2018-08-03)
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<a name="2.0.0"></a>
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# [2.0.0](https://github.com/mljs/global-spectral-deconvolution/compare/v1.1.6...v2.0.0) (2016-11-08)
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### Bug Fixes
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* **gsd:** more understandable variable names ([e8e9ccb](https://github.com/mljs/global-spectral-deconvolution/commit/e8e9ccb))
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### Features
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* **gsd:** fix a threshold for first derivative ([4cd0fbb](https://github.com/mljs/global-spectral-deconvolution/commit/4cd0fbb))
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* **gsd:** returns as option the boundaries and real height of each peak ([cf7d895](https://github.com/mljs/global-spectral-deconvolution/commit/cf7d895))
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### BREAKING CHANGES
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* gsd: rename i for index
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History.md

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README.md

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# global-spectral-deconvolution
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[![NPM version][npm-image]][npm-url]
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[![David deps][david-image]][david-url]
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[![build status][ci-image]][ci-url]
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[![Test coverage][codecov-image]][codecov-url]
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[![npm download][download-image]][download-url]
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Global Spectra Deconvolution + Peak optimizer
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`gsd`is using an algorithm that is searching for inflection points to determine the position of peaks and the width of the peaks are between the 2 inflection points. The result of GSD yield to an array of object containing {x, y and width}. However this width is based on the inflection point and may be different from the 'fwhm' (Full Width Half Maximum).
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The second algorithm (`optimizePeaks`) will optimize the width as a FWHM to match the original peak. After optimization the width with therefore be always FWHM whichever is the function used.
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The second algorithm (`optimizePeaks`) will optimize the width as a FWHM to match the original peak. After optimization the width with therefore be always FWHM whichever is the function used.
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## [API documentation](http://mljs.github.io/global-spectral-deconvolution/)
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let optimized = optimizePeaks(data, peaks);
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console.log(optimized); // array of peaks {x,y,width}, width = FWHM
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```
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## License
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[MIT](./LICENSE)
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[npm-image]: https://img.shields.io/npm/v/ml-gsd.svg?style=flat-square
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[npm-image]: https://img.shields.io/npm/v/ml-gsd.svg
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[npm-url]: https://npmjs.org/package/ml-gsd
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[david-image]: https://img.shields.io/david/mljs/global-spectral-deconvolution.svg?style=flat-square
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[david-url]: https://david-dm.org/mljs/global-spectral-deconvolution
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[download-image]: https://img.shields.io/npm/dm/ml-gsd.svg?style=flat-square
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[codecov-image]: https://img.shields.io/codecov/c/github/mljs/global-spectral-deconvolution.svg
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[codecov-url]: https://codecov.io/gh/mljs/global-spectral-deconvolution
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[ci-image]: https://github.com/mljs/global-spectral-deconvolution/workflows/Node.js%20CI/badge.svg?branch=master
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[ci-url]: https://github.com/mljs/global-spectral-deconvolution/actions?query=workflow%3A%22Node.js+CI%22
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[download-image]: https://img.shields.io/npm/dm/ml-gsd.svg
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[download-url]: https://npmjs.org/package/ml-gsd

bower.json

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package.json

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"trailingComma": "all"
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},
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"devDependencies": {
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"@babel/plugin-transform-modules-commonjs": "^7.12.1",
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"@types/jest": "^26.0.19",
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"@babel/plugin-transform-modules-commonjs": "^7.13.8",
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"@types/jest": "^26.0.21",
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"chemcalc": "^3.4.1",
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"cheminfo-build": "^1.1.8",
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"eslint": "^7.15.0",
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"eslint-config-cheminfo": "^5.2.2",
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"eslint-plugin-import": "^2.22.1",
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"eslint-plugin-jest": "^24.1.3",
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"eslint-plugin-prettier": "^3.3.0",
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"cheminfo-build": "^1.1.10",
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"eslint": "^7.22.0",
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"eslint-config-cheminfo": "^5.2.3",
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"esm": "^3.2.25",
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"jest": "^26.6.3",
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"jest-matcher-deep-close-to": "^2.0.1",
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"mf-global": "^1.3.0",
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"mf-global": "^1.3.4",
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"ml-stat": "^1.3.3",
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"nodemon": "^2.0.6",
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"nodemon": "^2.0.7",
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"prettier": "^2.2.1",
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"rollup": "^2.35.1",
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"spectrum-generator": "^4.6.0",
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"xy-parser": "^3.0.0"
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"rollup": "^2.42.3",
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"spectrum-generator": "^4.7.1",
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"xy-parser": "^3.1.1"
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},
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"dependencies": {
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"ml-peak-shape-generator": "^0.12.0",
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"ml-peak-shape-generator": "^1.0.0",
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"ml-savitzky-golay-generalized": "2.0.3",
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"ml-spectra-fitting": "^0.13.0",
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"ml-spectra-processing": "^4.10.0"
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"ml-spectra-fitting": "^1.0.0",
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"ml-spectra-processing": "^5.8.0"
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}
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}

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