Extended Data Fig. 8: Comparison of the R1 factor between conventional and iSFAC modeling.
From: Experimental determination of partial charges with electron diffraction
(a) Tyrosine: the upper section compares the R1 factor between conventional and iSFAC models, while the table below presents the percentage change (Δ) in R1-iSFAC compared to conventional R1. (b) Histidine: the top panel shows the R1 factor comparison between conventional and iSFAC models, with the table below indicating the percentage change (Δ) between the two. (c) ZSM5: similarly, the top panel compares the R1 factor between conventional and iSFAC models, with the table underneath displaying the percentage change (Δ) in R1-iSFAC compared to R1.
