Jkim9486/Scube: S-cube v3.22

S-cube v3.22

Fully adapted to the MATLAB 2025A major update, this version embraces the bold evolution of the MATLAB ecosystem—and we applaud MathWorks' daring move toward a more unified and high-performance environment.

A new results-tag feature has been introduced, providing more detailed information within the results folder, allowing users to better track simulation outcomes. Error messages are now triggered if invalid molecular structure files are provided, ensuring users are immediately alerted to potential input issues. Error messages are now triggered if invalid noise files are provided, improving input validation and preventing simulation errors. A stoichiometry check has been implemented in simulations, with warnings displayed when stoichiometry errors are detected, helping users identify and correct these problems early. On Windows operating systems, the results folder now automatically opens upon completion of a simulation, streamlining the workflow by allowing users to access output files immediately. S-cube with sensitivity plots is guaranteed to work reliably in MATLAB 2020B and later on Windows 10 and RedHat-based Linux systems.

S-cube with sensitivity plots is detailed in the following papers:

"Estimating signal and noise of time-resolved X-ray solution scattering data at synchrotrons and XFELs", J. Kim, J. G. Kim, H. Ki, C. W. Ahn, H. Ihee*, J. Synchrotron Rad., 27, 633–645 (2020)

"Sensitivity of time-resolved diffraction data to changes in internuclear distances and atomic positions", H. Jeong, H. Ki, J. G. Kim, J. Kim, Y. Lee, and H. Ihee*, Bull. Korean Chem. Soc., 1–15 (2022)