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 literature mass 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 traces
- Saving fit results
- :-notation of chemical substances
- Creating simulated spectra
- Blind analysis
- Hypothesis testing
- References
- emgfit API docs
- Release History
- v0.5.0 (2024-01-21)
- v0.4.1 (2022-05-31)
- v0.4.0 (2021-03-09)
- v0.3.7 (2021-02-02)
- v0.3.6 (2020-12-17)
- v0.3.5 (2020-12-08)
- v0.3.4 (2020-12-06)
- v0.3.3 (2020-12-05)
- v0.3.2 (2020-12-04)
- v0.3.1 (2020-11-27)
- v0.3.0 (2020-11-25)
- v0.2.3 (2020-09-18)
- v0.2.2 (2020-09-16)
- v0.2.1
- v0.2.0 (2020-09-09):
- v0.1.0 (2020-06-08)
- Contact