xrd.find.Peak: Finds peak position from gaussian fit

In thomasgredig/rigakuXRD: X-Ray Diffraction Data Import and Analysis

Finds peak position from gaussian fit

Description

Fits a Gaussian form to a peak

Usage

xrd.find.Peak(
  TwoTheta,
  Intensity = NULL,
  peakPos = NA,
  Try.Sigma = c(0.1, 0.4, 0.2, 0.15),
  thetaDelta = 5
)

Arguments

TwoTheta	vector of two theta angles from xrd spectrum.
Intensity	NULL if xrd S3 object, otherwise xrd intensity vector.
peakPos	approximate angle (2Theta) of peak position.
Try.Sigma	vector with peak widths used to start fitting.
thetaDelta	approximate width of angle to search peak.

Value

peak position angle obtained from fit

Examples

filename = xrd.getSampleFiles(fileExt='asc')
d = xrd.import(filename)
peak.pos = xrd.find.Peak(d$TwoTheta, d$I, 38.2)
plot(d$TwoTheta,d$I,log='y',col='red')
abline(v=peak.pos,col='blue')

thomasgredig/rigakuXRD documentation built on Nov. 7, 2024, 12:04 a.m.