Can you send the file to me off-list? I'll have a closer look once I have the file. Pavel On 3/11/19 16:10, yong zhou wrote:

Hi,

Recently I deposited a structure to PDB. However, I was told there is a large difference between reported (77.89%) and calculated (88.36%) values for data completeness.

In order to confirm the information, I used the command phenix.reflection_statistics and the result is as following.

Resolution range: 31.6787 1.91132

Completeness in resolution range: 0.783333

Completeness with d_max=infinity: 0.783193

Anomalous completeness in resolution range: 0.599544

Bijvoet pairs: 15786

Lone Bijvoet mates: 9291

Mean anomalous difference: 0.0671

Space group of the intensities: P 2 2 2

Space group of the metric:P m m m

Tolerance used in the determination of the

lattice symmetry: 3 degrees

Possible twin laws: None

Completeness of 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):

unused:- 31.6830 [0/9] 0.000

bin1: 31.6830 -1.9113 [28083/29673] 0.946

unused:1.9113 -[0/0]

There are two completeness values 0.783 and 0.946.

So which is the correct one?

Look forward to the reply.

Yong Zhou

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