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Add normalisation of diffractograms (default: True=

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rasmusvt 2022-03-23 14:26:43 +01:00
parent 06753ab6b2
commit 0fb8883d19
2 changed files with 9 additions and 1 deletions
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4
beamtime/xrd/io.py
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@ -300,6 +300,10 @@ def read_data(data, options={}, index=0):
diffractogram, wavelength = read_xy(data=data, options=options, index=index) diffractogram, wavelength = read_xy(data=data, options=options, index=index)
if options['normalise']:
diffractogram['I'] = diffractogram['I'] / diffractogram['I'].max()
diffractogram = translate_wavelengths(data=diffractogram, wavelength=wavelength) diffractogram = translate_wavelengths(data=diffractogram, wavelength=wavelength)
return diffractogram, wavelength return diffractogram, wavelength

6
beamtime/xrd/plot.py
View file

@ -19,7 +19,7 @@ def plot_diffractogram(data, options={}):
data (dict): Must include path = string to diffractogram data, and plot_kind = (recx, beamline, image)''' data (dict): Must include path = string to diffractogram data, and plot_kind = (recx, beamline, image)'''
# Update options # Update options
required_options = ['x_vals', 'y_vals', 'ylabel', 'xlabel', 'xunit', 'yunit', 'line', 'scatter', 'xlim', 'ylim', required_options = ['x_vals', 'y_vals', 'ylabel', 'xlabel', 'xunit', 'yunit', 'line', 'scatter', 'xlim', 'ylim', 'normalise',
'reflections_plot', 'reflections_indices', 'reflections_data', 'plot_kind', 'palettes', 'interactive', 'rc_params', 'format_params'] 'reflections_plot', 'reflections_indices', 'reflections_data', 'plot_kind', 'palettes', 'interactive', 'rc_params', 'format_params']
default_options = { default_options = {
@ -28,6 +28,7 @@ def plot_diffractogram(data, options={}):
'ylabel': 'Intensity', 'xlabel': '2theta', 'ylabel': 'Intensity', 'xlabel': '2theta',
'xunit': 'deg', 'yunit': 'a.u.', 'xunit': 'deg', 'yunit': 'a.u.',
'xlim': None, 'ylim': None, 'xlim': None, 'ylim': None,
'normalise': True,
'line': True, # whether or not to plot diffractogram as a line plot 'line': True, # whether or not to plot diffractogram as a line plot
'scatter': False, # whether or not to plot individual data points 'scatter': False, # whether or not to plot individual data points
'reflections_plot': False, # whether to plot reflections as a plot 'reflections_plot': False, # whether to plot reflections as a plot
@ -55,9 +56,12 @@ def plot_diffractogram(data, options={}):
for index in range(len(data['path'])): for index in range(len(data['path'])):
diffractogram, wavelength = xrd.io.read_data(data=data, options=options, index=index) diffractogram, wavelength = xrd.io.read_data(data=data, options=options, index=index)
data['diffractogram'][index] = diffractogram data['diffractogram'][index] = diffractogram
data['wavelength'][index] = wavelength data['wavelength'][index] = wavelength
else: else:
if not isinstance(data['diffractogram'], list): if not isinstance(data['diffractogram'], list):
data['diffractogram'] = [data['diffractogram']] data['diffractogram'] = [data['diffractogram']]