Instrumentation and Beamline Support

Bruker GADDS Diffractometers

Bruker has a software package that is shipped with “Series II” diffractometers, called “GADDS”. While this software is being replaced by an overhauled suite, it does have a scripting language that allows for control of the instrument via scimap.

Use of Bruker GADDS system with scimap has three main components

Data Acquisition Script

This is where the user will prepare a “slm file” which can be run in GADDS. It will instruct the instrument to trace out a desired path and save both 2D and 1D diffractograms, as well as a .jpg of the camera’s view.

scimap.write_gadds_script(qrange=(1, 5), sample_name='example',
                          center=(1.32, -44.78), collimator=0.8)

This will create an example-frames/example.slm file that can be run using GADDS. It will also create some supporting files that will be used in the subsequent analysis.

Importing and Pre-Processing

Once the GADDS script has been run, the data can then be imported into the HDF file for further analysis.

scimap.import_gadds_map(sample_name="example",
                        directory="example_frames")

The value for sample_name should match that passed to the write_gadds_script function called above. After calling this function, the file example.h5 contains the imported data.

Analysis and Visualization

Coming soon.

Bruker DaVinci Diffractometers

As of this writing, the modern Bruker diffractometer family does not support scripting and so mapping through scimap is not possible. Support for individual Bruker BRML files is available through scimap.XRDScan objects.

APS Beamline 34-ID-E

Scimap can import integrated data obtained from the 34-ID-E microdiffraction beamline at the Advanced Photon Source. The two-dimensional diffraction patterns must first be integrated to one-dimensional patterns using the Fit2D application. Once .chi files are prepared, they can be imported into scimap.

scimap.import_aps_34IDE_map(directory='example_frames/',
                            wavelength=0.516, shape=(10, 10),
                            step_size=0.10)

Where the wavelength is given in angstroms. Ideally, the .chi files should use scattering lengths, but any files in 20 will be automatically converted to scattering length (q).