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@ -130,6 +130,7 @@ pdf2df <- function(pdffile) {
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# For example the PDF files produced by the PDF database at Angstrom's X-ray lab
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# For example the PDF files produced by the PDF database at Angstrom's X-ray lab
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# NOTE: sometimes intensity values are specified as less than some value.
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# NOTE: sometimes intensity values are specified as less than some value.
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# In those cases, this function simply strips the less-than character.
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# In those cases, this function simply strips the less-than character.
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# (Perhaps not true, see the int.Tex column)
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# ARGS: pdffile (complete path and filename to PDF file)
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# ARGS: pdffile (complete path and filename to PDF file)
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# VALUE: dataframe with 9 columns:
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# VALUE: dataframe with 9 columns:
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# thth angles (numeric),
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# thth angles (numeric),
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@ -137,10 +138,10 @@ pdf2df <- function(pdffile) {
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# h index (numeric),
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# h index (numeric),
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# k index (numeric),
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# k index (numeric),
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# l index (numeric),
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# l index (numeric),
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# hkl indices (factor of strings),
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# hkl indices (string),
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# hkl.TeX indices formatted for LaTeX (factor of strings),
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# hkl.TeX indices formatted for LaTeX (string),
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# intensity (numeric),
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# intensity (numeric),
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# int.TeX intensity formatted for LaTeX (factor of strings)
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# int.TeX intensity formatted for LaTeX (string)
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# attr: This function sets the following attributes:
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# attr: This function sets the following attributes:
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# ApplicationName,
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# ApplicationName,
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# ApplicationVersion,
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# ApplicationVersion,
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@ -155,7 +156,7 @@ pdf2df <- function(pdffile) {
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#
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#
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angles <- data.frame(NULL)
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angles <- data.frame(NULL)
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for (i in 1:length(pdf[["graphs"]][["stick_series"]])) {
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for (i in 1:length(pdf[["graphs"]][["stick_series"]])) {
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angles <- rbind(angles, data.frame(#
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angles <- rbind(angles, data.frame(stringsAsFactors = FALSE,#
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thth = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["theta"]])),
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thth = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["theta"]])),
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d = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["da"]])),
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d = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["da"]])),
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h = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["h"]])),
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h = as.numeric(xmlValue(pdf[["graphs"]][["stick_series"]][[i]][["h"]])),
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