| resample.twotheta {aqp} | R Documentation |
Resample an XRD pattern along a user-defined twotheta resolution via local spline interpolation.
resample.twotheta(twotheta, x, tt.min = min(twotheta), tt.max = max(twotheta), new.res = 0.02)
twotheta |
a vector of twotheta value |
x |
a vector of diffraction intensities corresponding with twotheta values |
tt.min |
new minimum twotheta value, defaults to current minimum |
tt.max |
new maximum twotheta value, defaults to current maximum |
new.res |
new twotheta resolution, defaults to 0.02 |
Sometimes XRD patterns are collected at different resolutions, or at a resolution that is too great for full pattern matching. This function can be used to resample patterns to a consistent twotheta resolution, or to decimate massive patterns.
A dataframe with the following columns
twotheta |
new sequence of twotheta values |
x |
resampled diffraction intensities |
Dylan E Beaudette
http://casoilresource.lawr.ucdavis.edu/
data(rruff.sample)
# resample single pattern
nontronite.resamp <- with(rruff.sample,
resample.twotheta(twotheta, nontronite, new.res=0.02) )
# plot original vs. resampled pattern
plot(nontronite ~ twotheta, data=rruff.sample, type='l', col='grey')
lines(nontronite.resamp, col='blue')