def loadMaterialData():
#Name Lattice parameter Lattice file
data = fg.readLines(FILE_SAMPLE_MATERIALS)
materialData = {}
for line in data[0:]:
lineData = line.split("\t")
materialData[lineData[0]] = {"a": float(lineData[1])}
materialData[lineData[0]]["dec"] = fg.dlmread(lineData[2].strip(), "\t", 1)
return materialData
def getSpectrumFromFile(specFile="", dataDelim='\t', headerLines=5):
data = 0
heading = 0
if len(specFile) == 0:
specFile = fg.requestFiles((('Text file', '*.txt'),), 'Spektrumdatei auswaehlen', 'off')
if len(specFile) > 0:
#Read data from file
heading = fg.readLines(specFile, headerLines)
data = fg.dlmread(specFile, dataDelim, headerLines)
return data, heading
def loadFileP61A(fileP61A=""):
rawData = 0
if len(fileP61A) == 0:
fileP61A = fg.requestFiles((('Data file', '*.dat'),), 'Select P61A data file', 'off')
fileP61A = fileP61A[0]
if len(fileP61A) > 0:
# read header data from file
heading, metaInfo = importFileHeader(fileP61A, '\t', True, (('Data file', '*.dat'),),
'Select P61A data file', 'off')
# the first column is text
rawData = fg.dlmread(fileP61A, '\t', 2, usedCols=range(1, len(heading)))
return rawData, heading, metaInfo
def getDecVals(decFile, hklVals=None):
decVals = 0
if decFile is None or len(decFile) == 0:
fileNames = fg.requestFiles((('Text file', '*.txt'),), 'Select DEC file', "off")
decFile = fileNames[0]
if decFile is not None:
# Convert data to matrix
data = fg.dlmread(decFile, '\t', 1)
if hklVals is not None:
#select relevant values
return dc.selectDecVals(data, hklVals)
else:
return data
def importNumericalDataWithHeader(importFile='', delim='\t', withMetaLine=False, skipCols=0,
fileType=(('Data file', '*.txt'), ('Data file', '*.dat')), diagTitle='Select data file', multiSel='off'):
data = dict()
header = 0
if len(importFile) == 0:
importFile = fg.requestFiles(fileType, diagTitle, multiSel)
importFile = importFile[0]
if len(importFile) > 0:
# read header data from file
heading, metaInfo = importFileHeader(importFile, delim, withMetaLine, fileType, diagTitle, multiSel)
# the first column is text
if withMetaLine:
skipRows = 2
else:
skipRows = 1
rawData = fg.dlmread(importFile, delim, skipRows, usedCols=range(skipCols, len(heading)))
# convert data to dictionary
data = bf.matrix2dict(rawData, heading[skipCols:])
return data, metaInfo
# export new text file
fg.dlmwrite(bf.replace(fileNames[i], '.fio', '.txt'),
motVals,
head=headLine,
format='%f')
# split motor positions files into separate ones according to one axis (e. g. different measurement points)
# splitCol = 2 # tth0
# splitCol = 3 # tth1
splitCol = 7 # x
# splitCol = 8 # y
# splitCol = 9 # z
fileNames = fg.requestFiles((("Text files", '*.txt'), ),
'Select positions files', 'on')
for curFile in fileNames:
motposData = fg.dlmread(curFile, '\t', 1)
uniVals = np.unique(motposData[:, splitCol])
for val in uniVals:
fg.dlmwrite(bf.replace(
curFile, '.txt', '_' + header[splitCol] + '_' + str(val) + '.txt'),
motposData[motposData[:, splitCol] == val, :],
head=headLine,
format='%f')
# split motor positions files into separate ones according to three axis (e. g. different measurement points)
splitCol1 = 7 # x
splitCol2 = 8 # y
splitCol3 = 9 # z
fileNames = fg.requestFiles((("Text files", '*.txt'), ),
'Select positions files', 'on')
for curFile in fileNames:
# plot the results
if plotResUvp:
ps.plotUniversalPlot(resDataUvp, showErr)
#ps.plotMultiUniversalPlot(resDataUvp, showErr)
ps.plotStrainFreeLatticeSpacing(resDataS33, showErr)
ps.plotStresses(resDataS33, showErr)
# write results to files
fg.export(fs.universalplotHeader() + fs.universalPlotResults(resDataUvp))
fg.export(fs.universalplotS33Header() +
fs.multiUniversalPlotS33Results(resDataS33))
# import result files of multi wavelength analysis and plot the results
plotResMwl = True
fileNames = fg.requestFiles((("text files", "*.txt"), ("all files", "*.*")),
"Select MWL result file", "off")
allData = fg.dlmread(fileNames[0], '\t', 1)
resDataMwl = {
'hklList': allData[:, 0],
's1Dec': None,
'hs2Dec': None,
'tauMean': allData[:, 1],
'dStar100': allData[:, 2],
'stresses': allData[:, 4:15:2],
'accuracy': allData[:, 5:16:2],
'integralWidth': allData[:, 16:22]
}
# plot the results
if plotResMwl:
ps.plotMultiWavelength(plotDataMwl, showErr)
#ps.plotIntegralWidth(resDataMwl, showErr)
ps.plotStrainFreeLatticeSpacing(resDataMwl, showErr)
def createPeakMeasurementFile(settings, fileNamesAxes=None, fileNamesPeaks=None, resFile=None):
# header of new file
fileHead = ['LNr', 'dVal[nm]', 'dVar[nm]', 'Iint', 'Integralb', 'tth', 'phiP', 'psiP', 'etaP',
'Ringstr', 'RT', 'DT', 'xdiff', 'ydiff', 'zdiff', 'motor1', 'motor2', 'motor3',
'temp1', 'temp2', 'wavelength', 'deltatime']
# select files
if fileNamesAxes is None or len(fileNamesAxes) == 0:
multiSel = 'on'
fileNamesAxes = fg.requestFiles((('Text file', '*.txt'),), 'Achspositionsdateien auswaehlen', multiSel)
if fileNamesPeaks is None or len(fileNamesPeaks) == 0:
fileNamesPeaks = fg.requestFiles((('Text file', '*.txt'),), 'Auswertedateien auswaehlen', "on")
if fileNamesAxes is not None and len(fileNamesAxes) != 0:
if resFile is None or len(resFile) == 0:
# specify name of result file
if len(fileNamesAxes) == 1 and fileNamesAxes[0].find('_positions.txt') > 0:
resFile = bf.replace(fileNamesAxes[0], '_positions.txt', '_finalData.txt')
elif len(fileNamesAxes) == 1 and fileNamesAxes[0].find('_pos.txt') > 0:
resFile = bf.replace(fileNamesAxes[0], '_pos.txt', '_finalData.txt')
elif len(fileNamesAxes) == 1:
resFile = bf.replace(fileNamesAxes[0], '.txt', '_finalData.txt')
else:
pathName, file = fg.fileparts(fileNamesAxes[0])
resFile = pathName + '/finalData.txt'
if settings['type'] == 'P61_0':
resFile = resFile.replace('.txt', '0.txt')
elif settings['type'] == 'H4_1' or settings['type'] == 'P61_1':
resFile = resFile.replace('.txt', '1.txt')
elif settings['type'] == 'H4_2':
resFile = resFile.replace('.txt', '2.txt')
axesFiles = len(fileNamesAxes)
peakFiles = len(fileNamesPeaks)
# read data from axes files
dataAxes = []
for i in range(axesFiles):
dataAxes.append(fg.dlmread(fileNamesAxes[i], '\t', 1))
dataAxes = np.array(dataAxes)
# read data from peak files
dataPeaks = []
for i in range(peakFiles):
dataPeaks.append(fg.dlmread(fileNamesPeaks[i], '\t', 1))
dataPeaks = np.array(dataPeaks)
if len(bf.size(dataPeaks[0])) == 1:
peakCount = bf.min(bf.size(dataPeaks[0], 0), bf.size(dataPeaks[0], 1))[0] # peakFiles
else:
peakCount = bf.size(dataPeaks[0], 0)
peaks = np.setdiff1d(range(0, peakCount), settings['unused'] - 1) # function needs zero based unused values
# create new data set
lineCount = peakFiles * len(peaks)
data = np.zeros((lineCount, 22))
curAxesFile = 0
curAxesLine = 0
peakNum = 1
for i in peaks:
for j in range(peakFiles):
curLine = (peakNum - 1) * peakFiles + j
data[curLine, 0] = peakNum # peak number
# angle dispersive data measured at own laboratory devices (roh, xrdml and uxd file format)
if settings['type'] == 'AD':
if len(bf.size(dataPeaks)) < 3:
data[curLine, 5] = dataPeaks[j, 4] # ttheta
else:
data[curLine, 5] = dataPeaks[j][i, 4] # ttheta
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 2] # phi
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 1] # psi
data[curLine, 8] = 90 # eta
data[curLine, 9] = 45 # current
data[curLine, 10] = dataAxes[curAxesFile][curAxesLine, 7] # real time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 3] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 4] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 5] # z axis
data[curLine, 20] = settings['pars'] # wavelength
data[curLine, 1] = conv.angles2latticeDists(data[curLine, 5], data[curLine, 20]) # peak value
if len(bf.size(dataPeaks)) < 3:
data[curLine, 2] = data[curLine, 1] - conv.angles2latticeDists(data[curLine, 5] +
dataPeaks[j, 7], data[curLine, 20]) # peak deviation
data[curLine, 3] = dataPeaks[j, 5] # peak intensity
data[curLine, 4] = (2 * np.pi) ** 0.5 * dataPeaks[j, 3] # peak IB [°]
else:
data[curLine, 2] = data[curLine, 1] - conv.angles2latticeDists(data[curLine, 5] +
dataPeaks[j][i, 7], data[curLine, 20]) # peak deviation
data[curLine, 3] = dataPeaks[j][i, 5] # peak intensity
data[curLine, 4] = (2 * np.pi)**0.5 * dataPeaks[j][i, 3] # peak IB [°]
# Seifert measurement data
elif len(settings['type']) > 6 and settings['type'][0:6] == 'Seifert':
data[curLine, 5] = dataPeaks[j][i, 4] # ttheta
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 4] # phi
if data[curLine, 6] != 0 or data[curLine, 6] != 90 or data[curLine, 6] != 180 or data[curLine, 6] != 270:
data[curLine, 6] = 0
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 3] # psi
if settings['type'] == 'SeifertM': # omega measurement
data[curLine, 8] = 0 # eta
else:
data[curLine, 8] = 90 # eta
data[curLine, 9] = 45 # current
data[curLine, 10] = dataAxes[curAxesFile][curAxesLine, 14] # real time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 5] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 6] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 7] # z axis
data[curLine, 20] = settings['pars'] # wavelength
data[curLine, 1] = conv.angles2latticeDists(data[curLine, 5], data[curLine, 20]) # peak value
data[curLine, 2] = data[curLine, 1] - conv.angles2latticeDists(data[curLine, 5] +
dataPeaks[j][i, 7], data[curLine, 20]) # peak deviation
data[curLine, 3] = dataPeaks[j][i, 5] # peak intensity
data[curLine, 4] = (2 * np.pi) ** 0.5 * dataPeaks[j][i, 3] # peak IB [°]
elif settings['type'] == 'ED' or settings['type'][0:2] == 'H4' or settings['type'][0:3] == 'P61':
if settings['type'][0:2] == 'H4':
data[curLine, 5] = settings['tth']
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 5] # phi
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 4] # psi
data[curLine, 8] = 90 # eta
data[curLine, 9] = 45 # current
# real time
# dead time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 6] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 7] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 8] # z axis
elif settings['type'][0:3] == 'P61':
if settings['type'] == 'P61_0':
data[curLine, 5] = dataAxes[curAxesFile][curAxesLine, 2] # ttheta
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 4] # psi
elif settings['type'] == 'P61_1':
data[curLine, 5] = dataAxes[curAxesFile][curAxesLine, 3] # ttheta
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 5] # psi
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 6] # phi
data[curLine, 8] = 90 # eta
data[curLine, 9] = dataAxes[curAxesFile][curAxesLine, 10] # petracurrent
# real time
# dead time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 7] # x
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 8] # y
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 9] # z
elif settings['type'] == 'ED':
data[curLine, 5] = dataAxes[curAxesFile][curAxesLine, 1] + dataAxes[curAxesFile][curAxesLine, 2] # ttheta
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 4] # phi
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 3] # psi
data[curLine, 8] = 90 # eta
data[curLine, 9] = 45 # current
data[curLine, 10] = dataAxes[curAxesFile][curAxesLine, 14] # real time
# dead time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 5] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 6] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 7] # z axis
if len(settings['pars']) == 0:
data[curLine, 1] = conv.energies2latticeDists(dataPeaks[j][i, 4], data[curLine, 5]) # peak value
data[curLine, 2] = data[curLine, 1] - conv.energies2latticeDists(dataPeaks[j][i, 4] +
dataPeaks[j][i, 7] / dataPeaks[j][i, 2], data[curLine, 5]) # peak deviation
data[curLine, 4] = (2 * np.pi) ** 0.5 * dataPeaks[j][i, 3] # peak IB [keV]
else:
data[curLine, 1] = conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4],
settings['pars']), data[curLine, 5]) # peak value
data[curLine, 2] = data[curLine, 1] - conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4]
+ dataPeaks[j][i, 7] / dataPeaks[j][i, 2], settings['pars']), data[curLine, 5]) # peak deviation
data[curLine, 4] = (2 * np.pi) ** 0.5 * dataPeaks[j][i, 3] # peak IB [keV]
data[curLine, 3] = dataPeaks[j][i, 5] # peak intensity
if settings['type'][0:2] == 'P61':
data[curLine, 2] = 1 / data[curLine, 3] # error weight as intensity
# ED data in general
elif settings['type'] == 'ED':
data[curLine, 5] = dataAxes[curAxesFile][curAxesLine, 1] + dataAxes[curAxesFile][curAxesLine, 1] # ttheta
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 4] # phi
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 3] # psi
data[curLine, 8] = 90 # eta
data[curLine, 9] = 45 # current
data[curLine, 10] = dataAxes[curAxesFile][curAxesLine, 14] # real time
# dead time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 5] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 6] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 7] # z axis
if settings['pars'] is None:
data[curLine, 1] = conv.energies2latticeDists(dataPeaks[j][i, 4], data[curLine, 5]) # peak value
data[curLine, 2] = data[curLine, 1] - conv.energies2latticeDists(dataPeaks[j][i, 4] +
dataPeaks[j][i, 7], data[curLine, 5]) # peak deviation
data[curLine, 4] = (2 * np.pi)**0.5 * dataPeaks[j][i, 3] # peak IB [keV]
else:
data[curLine, 1] = conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4], settings['pars']),
data[curLine, 5]) # peak value
data[curLine, 2] = dataPeaks[j][i, 4] - conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4] +
dataPeaks[j][i, 7], settings['pars']), data[curLine, 5]) # peak deviation
data[curLine, 4] = (2 * np.pi)**0.5 * dataPeaks[j][i, 3] # peak IB [keV]
data[curLine, 3] = dataPeaks[j][i, 5] # peak intensity
# EDDI files
elif settings['type'] == 'EDDI':
data[curLine, 5] = dataAxes[curAxesFile][curAxesLine, 1] # ttheta
data[curLine, 6] = dataAxes[curAxesFile][curAxesLine, 2] # phi
data[curLine, 7] = dataAxes[curAxesFile][curAxesLine, 3] # psi
data[curLine, 8] = dataAxes[curAxesFile][curAxesLine, 4] # eta
data[curLine, 9] = dataAxes[curAxesFile][curAxesLine, 5] # current
data[curLine, 10] = dataAxes[curAxesFile][curAxesLine, 6] # real time
data[curLine, 11] = dataAxes[curAxesFile][curAxesLine, 7] # dead time
data[curLine, 12] = dataAxes[curAxesFile][curAxesLine, 8] # x axis
data[curLine, 13] = dataAxes[curAxesFile][curAxesLine, 9] # y axis
data[curLine, 14] = dataAxes[curAxesFile][curAxesLine, 10] # z axis
data[curLine, 15] = dataAxes[curAxesFile][curAxesLine, 11] # motor 1
data[curLine, 16] = dataAxes[curAxesFile][curAxesLine, 12] # motor 2
data[curLine, 17] = dataAxes[curAxesFile][curAxesLine, 13] # motor 3
data[curLine, 19] = dataAxes[curAxesFile][curAxesLine, 14] # temp 1
data[curLine, 19] = dataAxes[curAxesFile][curAxesLine, 15] # temp 2
data[curLine, 20] = dataAxes[curAxesFile][curAxesLine, 16] # heatrate
if settings['pars'] is None:
data[curLine, 1] = conv.energies2latticeDists(dataPeaks[j][i, 4], data[curLine, 5]) # peak value
data[curLine, 2] = data[curLine,1] - conv.energies2latticeDists(dataPeaks[j][i, 4] +
dataPeaks[j][i, 7], data[curLine, 5]) # peak deviation
data[curLine, 4] = (2 * np.pi)**0.5 * dataPeaks[j][i, 3] # peak IB [keV]
else:
data[curLine, 1] = conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4], settings['pars']),
data[curLine, 5]) # peak value
data[curLine, 2] = data[curLine, 1] - conv.energies2latticeDists(conv.channels2energies(dataPeaks[j][i, 4]
+ dataPeaks[j][i, 7], settings['pars']), data[curLine, 5]) # peak deviation
data[curLine, 4] = conv.channels2energies((2 * np.pi)**0.5 * dataPeaks[j][i, 3], settings['pars']) # peak IB [keV]
data[curLine, 3] = dataPeaks[j][i, 5] # peak intensity
# go to next measurement
curAxesLine = curAxesLine + 1
if bf.size(dataAxes[curAxesFile], 0) <= curAxesLine:
curAxesFile = curAxesFile + 1
if axesFiles <= curAxesFile:
curAxesFile = 0
curAxesLine = 0
peakNum = peakNum + 1
# write new file
fid = open(resFile, 'w')
for i in range(len(fileHead)):
fid.write(('%s\t' % fileHead[i]))
fg.writeLine(fid, '')
formatStr = '%.0f\t%.8f\t%.8f\t%.2f\t%.6f\t%.4f\t%.4f\t%.4f\t%.4f\t%.1f\t%.1f\t%.2f\t%.3f\t%.3f\t'\
+ '%.5f\t%.3f\t%.3f\t%.3f\t%.2f\t%.2f\t%.8f\t%.0f'
for j in range(lineCount):
fg.writeDataLine(fid, formatStr, data[j, :])
fid.close()
return data, resFile
