Package: LCF 1.7.0
Florian Werner
LCF: Linear Combination Fitting
Baseline correction, normalization and linear combination fitting (LCF) of X-ray absorption near edge structure (XANES) spectra. The package includes data loading of .xmu files exported from 'ATHENA' (Ravel and Newville, 2005) <doi:10.1107/S0909049505012719>. Loaded spectra can be background corrected and all standards can be fitted at once. Two linear combination fitting functions can be used: (1) fit_athena(): Simply fitting combinations of standards as in ATHENA, (2) fit_float(): Fitting all standards with changing baseline correction and edge-step normalization parameters.
Authors:
LCF_1.7.0.tar.gz
LCF_1.7.0.tar.gz(r-4.5-noble)LCF_1.7.0.tar.gz(r-4.4-noble)
LCF_1.7.0.tgz(r-4.4-emscripten)LCF_1.7.0.tgz(r-4.3-emscripten)
LCF.pdf |LCF.html✨
LCF/json (API)
| # Install 'LCF' in R: |
| install.packages('LCF', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org')) |
- specdat - Phosphorus K-edge XANES spectral data for LCF
This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.
Last updated 7 years agofrom:03408bdedf. Checks:OK: 2. Indexed: yes.
| Target | Result | Date |
|---|---|---|
| Doc / Vignettes | OK | Dec 09 2024 |
| R-4.5-linux | OK | Dec 09 2024 |
Exports:bkg_corrfit_athenafit_floatinitial_loadLC_fitLCF_solve_QPplot_LCFread_raw_specstd_df
Dependencies:quadprog
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Background correction function | bkg_corr |
| Porting of 'ATHENA' linear combination fitting | fit_athena |
| Central fitting function with float environment | fit_float |
| Initial loading of spectra | initial_load |
| Linear combination fitting function | LC_fit |
| Linear combination fitting solve function | LCF_solve_QP |
| Plot sample data, linear combination fit and residual spectrum | plot_LCF |
| Read raw spectra | read_raw_spec |
| Phosphorus K-edge XANES spectral data for LCF | specdat |
| Create a data frame of all standards | std_df |