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![[Figure 4]](/c/issues/2025/07/00/nh3003/nh3003fig4mag.jpg)
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| Figure 4 Statistics of the structure refinement parameters for macromolecular MicroED structures (blue) and X-ray structures (green) from the PDB (a)–(d) and the CSD (e)/(f). The distribution of both Rfree (a) and Rwork (b) are similar for the macromolecular MicroED and X-ray structures, with a slight shift towards higher values of about 2% for the MicroED data. Although interesting from the point of consistency within the PDB, the negligible difference also confirms the similar quality of the resulting structures for the two methods. The corresponding distribution of R1(all) in the CSD displays a larger difference of ∼0.15%. Small molecule models are generally more complete than macromolecules, generating smaller R values; hence discrepancies between electron and non-electron data stand out better. Additionally, the larger number of reflections typically measured in macromolecular data might to some extent smear out the effect of dynamical scattering, which is affected by strong reflections and also varies between close reflections taking a similar trajectory through the crystal. |
![[Figure 4]](https://journals.iucr.org/10.1107/S2053229625004875/nh3003fig4.jpg)
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STRUCTURAL CHEMISTRY |
ISSN: 2053-2296
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