In thomasgredig/rigakuXRD: X-Ray Diffraction Data Analysis Package for Rigaku Data Sets

knitr::opts_chunk$set(
  collapse = TRUE,
  warning = FALSE,
  message = FALSE, 
  fig.width = 6,
  comment = "#>"
)

Find the largest peak in a sub dataset.

library(rigakuXRD)
library(dplyr)

Create subsets of the data with about 10 degrees of data:

  filename = xrd.getSampleFiles(fileExt = 'asc')[1]
  d = xrd.read.ASC(filename)

  peakPos = c()
  for(j in 1:7) {
    d1 = d %>% filter(theta < j*10+2 & theta > (j-1)*10+2)
    p = xrd.peakEstimate(d1$theta, d1$I)
    peakPos = c(peakPos, p$th0)
  }

  plot(d$theta, d$I, log='y', col='red')
  abline(v=peakPos,lwd=2)

thomasgredig/rigakuXRD documentation built on Feb. 3, 2024, 10:49 p.m.