## pdfgetx3 searches for default configurations in ~/.pdfgetx3.cfg,
## .pdfgetx3.cfg, pdfgetx3.cfg and then loads a custom configuration
## if specified via the "-c" option.  You can run
##
##     pdfgetx3 --verbose=info
##
## to verify how and from what file are the parameters set.
##
## Use "pdfgetx3 --createconfig=FILE" to write a new configuration
## file with a description of all supported options.

[DEFAULT]

## Format of input files.  Available formats are: "twotheta", "QA", "Qnm".
## corresponding to a 2-column text data where the first column is either
## twotheta in degrees, Q in inverse Angstroms or Q in inverse nanometers.
dataformat = twotheta

## Optional background intensities from container and air scattering
backgroundfile = BG.txt
bgscale = 0.6

## Types of output files to be saved.  Possible values are
## "iq", "sq", "fq", "gr", also used as filename extensions.
## No files are saved when empty.
outputtype = fq gr

## X-ray wavelength in Angstroms.  Required for the "twotheta" dataformat.
wavelength = 0.20616

## Chemical composition of the measured sample.  Supported formats are
## "PbTi0.5Zr0.5O3", "Pb Ti0.5 Zr0.5 O3" or "Pb 1  Ti 0.5  Zr 0.5  O 3".
## Space characters are ignored, unit counts can be omitted, but it is
## important to use proper case for atom symbols.  Elements can repeat
## in the formula (e.g., "CH3 CH3"), but parenthesis are not supported.
composition = Ni

## The Q cutoff for the meaningful input intensities in inverse Angstroms.
## This is the upper boundary for the qmax parameter.  It is also used as
## the upper boundary for the polynomial fits in S(Q) corrections.
qmaxinst = 25.71

## Lower Q cutoff for Fourier transformation in inverse Angstroms.
## Use 0.0 when not specified.
#qmin = 0.0

## Upper Q cutoff for Fourier transformation in inverse Angstroms.
## Use maximum Q in the data when not specified.
qmax = 25.71

## Limits and spacing for the calculated PDF r-grid.
## All values in Angstroms.
rmin = 0.0
rmax = 50.0
rstep = 0.01