Rint value crystallography

  • What is Rint in crystallography?

    R i n t.
    Measure of how “equivalent” symmetry equivalent reflections really are.
    The lower the Rint, the better.
    A high value indicates bad data, poor absorption correction, or wrong space group (i.e.
    Laue symmetry)..

  • What is the R value of the crystal structure?

    In crystallography, the R-factor (sometimes called residual factor or reliability factor or the R-value or RWork) is a measure of the agreement between the crystallographic model and the experimental X-ray diffraction data.
    In other words, it is a measure of how well the refined structure predicts the observed data..

  • What is the R-value of the crystal structure?

    In crystallography, the R-factor (sometimes called residual factor or reliability factor or the R-value or RWork) is a measure of the agreement between the crystallographic model and the experimental X-ray diffraction data.
    In other words, it is a measure of how well the refined structure predicts the observed data..

  • It is also possible to lower the R-factor by deleting observed data and by raising the number of parameters.
    For evaluation of an R-factor, it is important to ask how many parameters were used and what percentage of the data were deleted and by what criteria.
R i n t. Measure of how “equivalent” symmetry equivalent reflections really are. The lower the Rint, the better. A high value indicates bad data, poor absorption correction, or wrong space group (i.e. Laue symmetry).
R i n t. Measure of how “equivalent” symmetry equivalent reflections really are. The lower the Rint, the better. A high value indicates bad data, poor absorption correction, or wrong space group (i.e. Laue symmetry).
Rint may be relatively meaningless when based on a very limited number of averaged data. Higher values should be accompanied by a suitable explanation in the 

What does a low Rint value mean?

Pay close attention to the Rint value, recall that this value should be below 0

10 for good data

A low Rint value suggests that your integration strategy and unit cell assignments are correct

Click “Apply”

Now GRAL will search for higher metric symmetry and additional centering conditions

What is the value of Rint?

The value of Rint (i e

_diffrn_reflns_av_R_equivalents) should normally be considerably less than 0

12 and in the order of magnitude of the reported R-values

Rint may be relatively meaningless when based on a very limited number of averaged data

Which crystal dimension should be supplied in a CIF?

The medium crystal dimension should be supplied in the CIF

The expected value should be a real number (i

e not 0

35mm) The largest crystal dimension should be supplied in the CIF

The expected value should be a real number (i

e not 0

35mm) Spherical correction for absorption is reported

The radius used is not supplied


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