def universalPlotS33Results(data):
# create upl file content
text = StringIO()
text.write('%.3f\t%.8f\t%.8f\t%.0f\t%.0f\t%g' % (data['tauMean'], data['dStar100'], data['dStar100Err'],
data['s33'], data['dev_s33'], data['hklVal']))
fg.writeLine(text, '')
return text.getvalue()
def writeSpectrumFile(file, data, header=None, preheader='', newlineStr=None):
if newlineStr is None:
newlineStr = os.linesep
fid = fg.openFile(file, 'w')
if header is not None:
for i in range(len(header)):
fg.writeLine(fid, ('%s' % (preheader + header[i])))
fid.close()
fid = open(file, 'ab')
np.savetxt(fid, data, delimiter='\t', newline=newlineStr, fmt='%g')
fid.close()
def sin2PsiResults(data):
text = StringIO()
text.write('%g\t%.3f\t%.8f\t%.8f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f' %
(data['hklVal'], data['tauMean'], data['dStar100'], data['dStar100Err'], data['stresses'][0],
data['accuracy'][0], data['stresses'][1], data['accuracy'][1], data['stresses'][2],
data['accuracy'][2], data['stresses'][3], data['accuracy'][3], data['stresses'][4],
data['accuracy'][4], data['stresses'][5], data['accuracy'][5]))
valuesIb = data['integralWidth']
for i in range(len(valuesIb)):
text.write('\t%.6f' % valuesIb[i])
fg.writeLine(text, '')
return text.getvalue()
def universalPlotResults(data):
# extract relevant data
tauVals = data['tauVals']
hklVals = data['hklVals']
psiVals = data['psiVals']
stresses = data['stresses']
accuracy = data['accuracy']
# create upl file content
text = StringIO()
for i in range(len(tauVals)):
text.write('%.3f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%.0f\t%g\t%.3f' % (tauVals[i],
stresses[i][0], accuracy[i][0], stresses[i][1], accuracy[i][1], stresses[i][2], accuracy[i][2],
stresses[i][3], accuracy[i][3], hklVals[i], psiVals[i]))
fg.writeLine(text, '')
return text.getvalue()
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