Fits a Gaussian Function to XRD data

usually run after a peak is identified through its location

xrd.get.PeakStats(
  TwoTheta,
  Intensity,
  peakPos,
  Try.Sigma = c(0.2, 0.1, 0.05, 0.3),
  verbose = FALSE
)

Arguments

TwoTheta

2q angle

Intensity

XRD intensity

peakPos

specific 2q angle of peak position

Try.Sigma

vector with peak widths used to start fitting

verbose

logical, if TRUE output additional information

Value

background, amplitude, position, width + 4 std. errors

Author

Thomas Gredig

Examples

filename = xrd.getSampleFiles(fileExt='asc')
d = xrd.read.ASC(filename)
xrd.get.PeakStats(d$theta, d$I, 38.2)
#> [1] 8.898096e+02 4.221328e+02 3.821680e+01 2.343885e-01 6.937047e+00
#> [6] 9.346417e+00 5.068504e-03 7.370949e-03