emgfit Documentation

• Getting started with emgfit
• Installation
  • The quick and dirty way
  • The neater way: Installing emgfit into a virtual environment
  • Launching Jupyter notebook
• Tutorial
  • Import the package
  • How to access the documentation
  • Import data
  • Add peaks to the spectrum
  • Assign identified species to the peaks (optional)
  • Select the optimal fit model and perform the peak-shape calibration
  • Determine A_stat_emg for subsequent stat. error estimations (optional)
  • Fit all peaks, perform mass re-calibration & obtain final mass values
  • Plot the fit curve zoomed to a region of interest (optional)
  • Export fit results
  • Alternative procedures:
• Central concepts
  • The peak and spectrum classes
  • Importing data and creating spectrum objects
  • Adding peak objects to a spectrum
  • Assigning species to peaks and fetching AME values
  • Available fit models
  • Peak fitting
  • Peak-shape calibration
  • Mass re-calibration
  • Fitting peaks of interest
  • Peak-shape uncertainty evaluation
  • :-Notation of chemical substances
• emgfit API docs
  • emgfit.ame_funcs module
  • emgfit.config module
  • emgfit.emg_funcs module
  • emgfit.fit_models module
  • emgfit.spectrum module
• Release History
  • v0.1.0 (2020-06-08)
• Contact