[phenixbb] reflection files, anomalous data, and test set

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Jul 23 16:13:33 PDT 2008


Hi Mark,

>   input {
>     xray_data {
>       file_name = ../testmtz.mtz
>       labels = "I(+),SIGI(+),I(-),SIGI(-)"
>       r_free_flags {
>         file_name = ../SePeak.hkl
>         label = TEST
>         test_flag_value = 1  }}

Could you try this instead?

    xray_data {
      file_name = SePeak.sca
      labels = None
      r_free_flags {
        file_name = ../SePeak.hkl
        label = TEST
         test_flag_value = 1  }}

Let me know if this gives the same error as before (could be).

Ralf



More information about the phenixbb mailing list