Code for Processing Laboratory SAXS/WAXS Data in NEXUS File Format

<p><span style="font-size:11pt"><span style="line-height:107%"><span style="font-family:Aptos,sans-serif"><span style="font-size:12.0pt"><span style="line-height:107%"><span arial="" style="font-family:">This code was developed as tool to reduce SAXS and WAXS data to a 1-D representation. This allows for large datasets to be processed and compared. The script was specifically designed to identify sample replications in HDF5 sample holder files exported from Anton Paar SAXSdrive (Anton Paar, Austria) and collected with 2D EigerR or PILATUS3 series detectors (Dectris, Switzerland). The HDF5 files are formatted to have the measurements from each sample in the holder, which are the averages of three frames. Each sample holder contained one measurement spot with three frames for multiple samples. The code allows to average measurements from all three spots at the same time based on the sample name. This code was created using already developed 1D reduction methods in the pyFAI Python library (Keiffer & Karkoulis, 2013; Karkoulis, 2013). </span></span></span></span></span></span></p>

<p><span class="item-title" id="file-88737">SAXS code processing overview.pdf: This file provides a step-by-step file on the execution of the code.</span></p>

<p><span class="item-title" id="file-88202">README.md: This file contains an overview on the function of the py-script.</span></p>

<p><span class="item-title" id="file-88200">Create Database.py : This file is the python script for the data analysis</span></p>

<p><span class="item-title" id="file-89180">CALCITONIN WT_CKD1.1.h5z : This file contains sample data to execute the analysis code. Data acquired on mouse femur (see </span>Montagnino, E., Bush, W., Bustamante, J., Bandara, W., Jalaie, P., Allen, M.R., Wallace, J.M., Siegmund, T., Surowiec, R.K. and Howarter, J.A., 2025. Nanostructural changes in bone quality in a mouse model of chronic kidney disease and treatment with calcitonin. <i>Bone Reports</i>, p.101880.) This work was performed under the approval of: Indiana University-Indianapolis School of Science Protocol #SC335R.</p>

<p><span class="item-title">NOTE: Due to large data volume of the example files, there can be a lag in program execution. This can appear as the code not executing but will resolve as the code progresses with the analysis.</span></p>

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