Dear all,

I found that the "Mean B value (OVERALL, A**2)" reported by refmac5 in the
head region of pdb file is 62.76. However, I calculated the average B value
of all B factors from all atoms and the result is 67.7. What makes the
difference? The canonical restrained refinement mode was used in refmac5.
When we prepare the Table 1 of manuscript, which one is correct for the
"average B value"?

Thanks and best regards,
Qixu Cai
Email: caiq...@gmail.com

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