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Creating .msp files from spreadsheets of mass spectrometry data

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metabolomics-us/msp-from-ss

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MSP From Spreadsheet

Build .msp files from spreadsheets of mass spectrometry data. Users will upload a spreadsheet with these column headers:

  • Average Rt(min)
  • Average Mz
  • Metabolite name
  • Adduct type
  • Formula
  • INCHIKEY
  • MS1 spectrum
  • MSMS spectrum

The user will then be prompted to download a .msp text file with their data.

This project was generated with Angular CLI version 8.3.3.

Development server

Run ng serve for a dev server. Navigate to http://localhost:4200/. The app will automatically reload if you change any of the source files.

Code scaffolding

Run ng generate component component-name to generate a new component. You can also use ng generate directive|pipe|service|class|guard|interface|enum|module.

Build

Run ng build to build the project. The build artifacts will be stored in the dist/ directory. Use the --prod flag for a production build.

Running unit tests

Run ng test to execute the unit tests via Karma.

Running end-to-end tests

Run ng e2e to execute the end-to-end tests via Protractor.

Further help

To get more help on the Angular CLI use ng help or go check out the Angular CLI README.

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Creating .msp files from spreadsheets of mass spectrometry data

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