Re: [phenixbb] Completeness issue by phenix
Thanks Ralf,
You were right. I found that my .log file has Anomalous flag:True. As it was pointed out, my mtz file was came from ccp4 where it uses anomalous data by default.
Another small wondering is about differently automatic(?) resolution pick up: my refmac assigned resolution range between 1.48 and 54.23 whereas my phenix.refine set it between 1.363 and 31.041 by default. Also while the refmac provides both entire and high resolution bin completeness, the phenix only gives a whole completeness. Is there any way I can investigate high resolution bin completeness? and why I have different resolution ranges by default without specifically assigning them?
Thanks again.
YoungJin
----- Original Message -----
From: "Ralf W. Grosse-Kunstleve"
Hi Young-Jin,
Another small wondering is about differently automatic(?) resolution pick up: my refmac assigned resolution range between 1.48 and 54.23 whereas my phenix.refine set it between 1.363 and 31.041 by default.
phenix.refine does not remove your Fobs by default (would be weird if it did so) (a few Fobs outliers, is any, is an exception): it uses all data that you give it in your reflection file (all Fobs > 0). I do not know why Refmac removes data between 1.363 and 1.48. You can tell phenix.refine to cut your data at resolution you want: use "xray_data.high_res=1.48" for this. Same for low resolution.
Also while the refmac provides both entire and high resolution bin completeness, the phenix only gives a whole completeness.
phenix.refine reports completeness in resolution bins too. Look .log file or PDB file header after refinement. Pavel.
participants (2)
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Pavel Afonine
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Young-Jin Cho