powdR1.3.0 package

Full Pattern Summation of X-Ray Powder Diffraction Data

afps.powdRlib

Automated full pattern summation

afps

Automated full pattern summation

align_xy.multiXY

Align XRPD data in a multiXY object to a given standard

align_xy

Align XRPD data to a given standard

align_xy.XY

Align XRPD data in an XY object to a given standard

as_multi_xy.data.frame

Create a multiXY object from a list of XRPD data

as_multi_xy.list

Create a multiXY object from a list of XRPD data

as_multi_xy

Create a multiXY object

as_xy

Create an XY object

bkg

Fit a background to XRPD data

close_quant.powdRafps

Close the phase concentration data within a powdRafps object

close_quant.powdRfps

Close the phase concentration data within a powdRfps object

close_quant

Close the phase concentration data within a powdRfps or powdRafps ...

delta

Calculate the Delta value for a fitted pattern

extract_xy

Import and extract XY data from proprietary files

fps.powdRlib

Full pattern summation

fps

Full pattern summation

fps_lm.powdRlib

Full pattern summation using linear regression

fps_lm

Full pattern summation using linear regression

interpolate.multiXY

Interpolate a multiXY object onto a given 2theta scale.

interpolate.powdRlib

Interpolate a powdRlib object onto a given 2theta scale.

interpolate

Interpolate an XY, multiXY or powdRlib object to a given 2theta scale.

interpolate.XY

Interpolate an XY object onto a given 2theta scale.

merge.powdRlib

Merge two powdRlib objects

multi_xy_to_df.multiXY

Convert a multiXY object to a data frame.

multi_xy_to_df

Convert a multiXY object to a data frame.

omit_std.powdRafps

Omit the internal standard from phase concentration data within a `pow...

omit_std.powdRfps

Omit the internal standard from phase concentration data within a `pow...

omit_std

Omit the internal standard from phase concentration data within a `pow...

plot.multiXY

Plotting a multiXY object

plot.powdRafps

Plotting elements of a powdRafps object

plot.powdRbkg

Plotting a powdRbkg object

plot.powdRfps

Plotting elements of a powdRfps object

plot.powdRlib

Plotting elements of a powdRlib object

plot.powdRlm

Plotting elements of a powdRlm object

plot.XY

Plotting an XY object

powdR

powdR: Full Pattern Summation of X-Ray Powder Diffraction Data

powdRlib

Create an XRPD reference library

r

Calculate the R value for a fitted pattern

read_xy

Read ASCII XY data

regroup.powdRafps

regroup

regroup.powdRfps

regroup

regroup

regroup

run_bkg

Run the background fitting shiny app

run_powdR

Run the powdR shiny app

rwp

Calculate the Rwp value for a fitted pattern

subset.powdRlib

Subset a powdRlib object

summarise_mineralogy

Summarise the mineralogy from multiple powdRfps and powdRafps outputs

tth_transform

Transform a two theta axis between wavelengths

xrpd_pca

PCA of XRPD data

Full pattern summation of X-ray powder diffraction data as described in Chipera and Bish (2002) <doi:10.1107/S0021889802017405> and Butler and Hillier (2021) <doi:10.1016/j.cageo.2020.104662>. Derives quantitative estimates of crystalline and amorphous phase concentrations in complex mixtures.

  • Maintainer: Benjamin Butler
  • License: GPL-2 | file LICENSE
  • Last published: 2021-08-13