emgfit DocumentationΒΆ
- Getting started with emgfit
- Installation
- Tutorial
- Import the package
- How to access the documentation
- Import data
- Add peaks to the spectrum
- Assign species to the peaks (optional)
- Activate hiding of mass values for blind analysis (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)
- Perform parametric bootstrap to get refined statistical uncertainties (optional)
- Get refined peak-shape uncertainties using MCMC parameter samples (optional)
- Export fit results
- Alternative procedures:
- Central concepts
- The peak and spectrum classes
- Adding peaks to a spectrum
- Assigning species to peaks and fetching AME values
- Hyper-EMG distributions
- Available fit models
- Multi-peak fits
- Peak fitting approach
- Peak-shape calibration
- Mass recalibration and calculation of final mass values
- Fitting peaks of interest
- Estimation of statistical uncertainties
- Peak-shape uncertainties
- Saving fit results
- :-notation of chemical substances
- Creating simulated spectra
- Blind analysis
- References
- emgfit API docs
- Release History
- Contact