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LCF (version 1.7.0)

Linear Combination Fitting

Description

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) . 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.

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Version

Install

install.packages('LCF')

Monthly Downloads

128

Version

1.7.0

License

GPL-3

Maintainer

Florian Werner

Last Published

November 22nd, 2017

Functions in LCF (1.7.0)

LC_fit

Linear combination fitting function
bkg_corr

Background correction function
fit_athena

Porting of 'ATHENA' linear combination fitting
specdat

Phosphorus K-edge XANES spectral data for LCF
std_df

Create a data frame of all standards
plot_LCF

Plot sample data, linear combination fit and residual spectrum
read_raw_spec

Read raw spectra
fit_float

Central fitting function with float environment
initial_load

Initial loading of spectra
LCF_solve_QP

Linear combination fitting solve function