IRIXS routines

Scripts for the IRIXS spectrometer, Beamline P01, Synchrotron Petra-III, DESY

• IRIXS: a resonant inelastic X-ray scattering instrument dedicated to X-rays in the intermediate energy range
• IRIXS Spectrograph: an ultra high-resolution spectrometer for tender RIXS

Overview

Classes

IRIXS.irixs: reduction class for the Rowland circle spectrometer
IRIXS.spectrograph: reduction class for spectrograph

• extracts raw collected images, transforms them into spectra and loads them to text files for analysis.
• basic plotting and fitting functionality

IRIXS.sixc: six-circle diffractometer simulator class for experiment planning

Scripts

p01plot: GUI application for quick plotting and fitting for experiments on P01 and P09
irixs_oneshot: check detector images from a specific measurement

Installation

Environment: Python 3.8+ w/ scipy, matplotlib, scikit-image, tabulate, PyQT5

from PyPI:

1. pip install IRIXS

If using an anaconda/miniconda distribution, it is suggested to install dependencies separately:

1. pip install IRIXS --no-deps
2. then e.g. conda install pyqt

To symlink to the source folder instead:

1. Clone repository to a prefered location
2. Enter root directory
3. pip install -e .

Usage

IRIXS.irixs

Example reduction script for IRIXS.irixs

from IRIXS import irixs

# initiate class and define detector ROI and zero energy position (y0)
expname = "irixs_11009137"
a = irixs(expname, y0=667, roix=[160, 1500], roih=[-200, 200])

elastic_runs = [1713, 1719]
spectra_runs = [1710, 1711, 1712, 1722, 1723]

# plot raw detector data to refine the ROI and y0
a.detector(1713)

# load and condition data by binning with meV steps
a.condition(0.006, elastic_runs, fit=True)
a.condition(0.02, spectra_runs)

fig, ax = plt.subplots()
a.plot(elastic_runs, ax=ax)
a.plot(spectra_runs, ax=ax)

IRIXS.spectrograph

from IRIXS import spectrograph

# initiate class and define detector image ROI
expname = "irixs_11012416"
b = spectrograph(expname, roix=[1024, 2048], roic=790, roih=100)

runs = [2476, 2477]

# plot raw detector images to refine ROI
b.detector(2476)

# condition and plot, while summing over the vertical (y) axis of the detector
b.condition(runs, bins=20, oneshot_y=True)
b.plot(runs)

IRIXS.sixc

Example script for IRIXS.sixc

from IRIXS import sixc

# initialise UB-matrix using experimental conditions
# here we assume second reflection is offset by exactly th=90°
unit_cell = [5.37, 5.60, 19.35, 90, 90, 90]
hkl0 = (0, 0, 4)
hkl1 = (1, 0, 0)
th0 = 29.85
tth0 = 53.70
chi0 = 2.0
angles0 = [th0, tth0, chi0]
f = sixc(unit_cell, ref0, ref1, angles0, hkl1_offset=90, energy=2838.5)

# print hkl for values from grazing to normal with detector fixed at tth=90°
for th in range(0, 95, 5):
    print(th, f.hkl(th, 90, chi0).round(3))

p01plot

p01plot [directory] [--remote -r] [--help -h]
directory : location to look for .fio data files
            defaults to /gpfs/current/raw, then current directory
--remote : remove cursor to speed up remote connections
--help : show this menu

irixs_oneshot

irixs_oneshot [number of run]

License

Copyright (C) Max Planck Institute for Solid State Research 2019-2021
GNU General Public License v3.0