Published November 5, 2021 | Version v1
Software Open

MATLAB Codes for the analysis of in-situ grazing-incidence wide-angle X-ray scattering (GIWAXS) data

Description

These codes provide key details for the analysis of time-resolved in-situ grazing-incidence wide-angle X-ray scattering (GIWAXS).  GIXSGUI (doi:10.1107/S1600576715004434) is required. Below is listed the functionality for each individual code:

PenetrationDepth: Calculates the attenutation depth of the sample based on the sample composition and X-ray energy.

pvsk_movie: Creates a video of the time-resolved data.

qtime: Integrates the data along chi for each frame. Then, plots the GIWAXS data integrated along chi as a function of time, either as a 2D plot or a multiple line plot.

plotter: Plots multiple individual 1D integrated data from different data sets.

Precursor: Designed specifically for the precursor evolution in perovskite film formation, data of the Debye-Scherrer ring height and integration are calculated. Analysis includes transformation of the GIWAXS raw data to a 2D q vs chi plot. Includes line fits of the ring along q to give more accurate integration.

q_Analysis_PVSK: Designed specifically for the precursor evolution in perovskite film formation, data of Bragg peak heights and integration are calculated. Analysis includes transformation of the GIWAXS raw data to a 2D q vs chi plot. Includes line fits of the peaks along q to give more accurate integration and allows for manual bound inputs to increase reliability. Also provides peak FWHM for use in calculating correlation length.

Disorientation: Quantifies the texture of a sample by integrating a peak along q and fitting a Gaussian along chi. The fitted curve's sigma value is the orientation.

Notes

Copyright © 2020, UChicago Argonne, LLC All Rights Reserved Software Name: GIXSGUI By: Argonne National Laboratory OPEN SOURCE LICENSE Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. ****************************************************************************************************** DISCLAIMER THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ***************************************************************************************************

Files

Files (46.6 kB)

Name Size Download all
md5:3039f5ac5fbd421f78d08f8bf5d4e7b2
2.6 kB Download
md5:bb412449de64dce1a084debbf66828e9
5.1 kB Download
md5:e42832db8bf07634fd49b15afab27f5a
7.8 kB Download
md5:c7cb0052b6a090e78b5d916f566d0e5c
2.6 kB Download
md5:c2429b8f084209c88f5f9844c103b093
1.3 kB Download
md5:1633b22379dc66fd9d73e484ef3485d8
20.9 kB Download
md5:4d8e832a48d85a0840faa37b75248ba3
6.4 kB Download

Additional details

References

  • Z. Jiang, Journal of Applied Crystallography 2015, 48, 917.