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Eliminating Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

<p>Data repository for the work with the same name. <a href="https://gitlab.com/asod/grsq_examples/-/tree/final_resubmission?ref_type=tags">Gitlab version</a></p> <p>All plots for the figures in the work can be generated via&nbsp;<code>plots_resubmission.ipynb</code></p> <p><code>This version is accompanying the final resubmission to JCP.</code></p> <p>&nbsp;</p> <p><code>Uses the pypi package&nbsp;<a href="https://pypi.org/project/grsq/">grsq</a></code></p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4

Topics