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R value
From Proteopedia
The R value is used to assess progress in the refinement of a model from X-ray crystallographic
data, and can be used as one factor in evaluating the quality of a model. R is a measure of error
between the observed intensities from the diffraction pattern and the predicted intensities that are
calculated from the model. R values of 0.20 or less are taken as evidence that the model is
reliable.
However, R values themselves must be treated with caution. Unlike the Free R, acceptable R
values can be achieved despite serious errors in the model, as demonstrated unequivocally by
Kleywegt & Brünger[1].
One famous pitfall that can result in a misleading R value is the addition of substantially more
than one water molecule per amino acid.