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Enable reading of CoupledTwoTheta-scans

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rasmusvt 2022-03-30 16:11:34 +02:00
parent 606bfc180d
commit 0fbfd20a74
1 changed files with 49 additions and 15 deletions
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60
beamtime/xrd/io.py
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@ -224,24 +224,56 @@ def read_brml(data, options={}, index=0):
for chain in root.findall('./DataRoutes/DataRoute'): for chain in root.findall('./DataRoutes/DataRoute'):
for scantype in chain.findall('ScanInformation/ScanMode'):
if scantype.text == 'StillScan':
if chain.get('Description') == 'Originally measured data.': # Get the scan type to be able to handle different data formats
for scandata in chain.findall('Datum'): scantype = chain.findall('ScanInformation')[0].get('VisibleName')
# Check if the chain is the right one to extract the data from
if chain.get('Description') == 'Originally measured data.':
if scantype == 'TwoTheta':
for scandata in chain.findall('Datum'):
scandata = scandata.text.split(',')
twotheta, intensity = float(scandata[2]), float(scandata[3])
if twotheta > 0:
diffractogram.append({'2th': twotheta, 'I': intensity})
elif scantype == 'Coupled TwoTheta/Theta':
for scandata in chain.findall('Datum'):
scandata = scandata.text.split(',')
twotheta, intensity = float(scandata[2]), float(scandata[4])
if twotheta > 0:
diffractogram.append({'2th': twotheta, 'I': intensity})
elif scantype == 'Still (Eiger2R_500K (1D mode))':
start = float(chain.findall('ScanInformation/ScaleAxes/ScaleAxisInfo/Start')[0].text)
stop = float(chain.findall('ScanInformation/ScaleAxes/ScaleAxisInfo/Stop')[0].text)
increment = float(chain.findall('ScanInformation/ScaleAxes/ScaleAxisInfo/Increment')[0].text)
for scandata in chain.findall('Datum'):
scandata = scandata.text.split(',') scandata = scandata.text.split(',')
scandata = [float(i) for i in scandata] raw = [float(i) for i in scandata]
twotheta, intensity = float(scandata[2]), float(scandata[3])
intensity = []
for r in raw:
if r > 600:
intensity.append(r)
intensity = np.array(intensity)
else:
if chain.get('Description') == 'Originally measured data.':
for scandata in chain.findall('Datum'):
scandata = scandata.text.split(',')
twotheta, intensity = float(scandata[2]), float(scandata[3])
if twotheta > 0:
diffractogram.append({'2th': twotheta, 'I': intensity}) twotheta = np.linspace(start, stop, len(intensity))
diffractogram = {'2th': twotheta, 'I': intensity}
#if 'wavelength' not in data.keys(): #if 'wavelength' not in data.keys():
@ -249,10 +281,12 @@ def read_brml(data, options={}, index=0):
for chain in root.findall('./FixedInformation/Instrument/PrimaryTracks/TrackInfoData/MountedOptics/InfoData/Tube/WaveLengthAlpha1'): for chain in root.findall('./FixedInformation/Instrument/PrimaryTracks/TrackInfoData/MountedOptics/InfoData/Tube/WaveLengthAlpha1'):
wavelength = float(chain.attrib['Value']) wavelength = float(chain.attrib['Value'])
diffractogram = pd.DataFrame(diffractogram) diffractogram = pd.DataFrame(diffractogram)
if options['save_folder']: if options['save_folder']:
if not os.path.isdir(options['save_folder']): if not os.path.isdir(options['save_folder']):
os.makedirs(options['save_folder']) os.makedirs(options['save_folder'])