Hi All,_______________________________________________
I am a new user to Phenix and am trying to process MIR datasets from a parameter file typing �phenix.autosol mir.eff� and keep running into the error message saying:
_______________
Possible choices:
/Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz:I,SIGI,merged
/Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz:IPR,SIGIPR,merged
Please use scaling.input.xray_data.obs_labels
to specify an unambiguous substring of the target label.
Unable to get range of aniso B from xtriage output
Multiple equally suitable arrays of observed xray data found.
********************************************************************************
Failed to carry out AutoSol_scale_and_analyze_mir:
Sorry, there is something wrong with the file /Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz ... xtriage cannot analyze it?
********************************************************************************
___________________
The �mir.eff� file contains:
------------------
#
autosol {
seq_file = sequence.dat
#scaling.input.xray_data.obs_labels='I SIGI'
# xray_data_labels = FP, SIGFP
# autosol.input.xray_data.labels=FP
labels='I SIGI'
crystal_info {
space_group = p212121
unit_cell = 49.020 73.140 187.350 90.000 90.000 90.00
}
native {
data = iafinal_d212121.mtz
}
deriv {
data = s10final_d212121.mtz
atom_type = I
sites = 2
inano = noinano *inano anoonly
}
deriv {
data = s13final_d212121.mtz
atom_type = I
sites = 1
inano = noinano *inano anoonly
}
deriv {
data = s23final_d212121.mtz
atom_type = I
sites = 1
inano = noinano *inano anoonly
}
}
-----------------
I guess the error comes because the program is not able to make a choice as to which columns to take from the mtz file. But no matter what �label� syntax I use or where I use it, it doesn�t seem to help. Obviously, I am missing something here. So could someone please help me with this. Also, I tried the same thing using the phenix wizard and it still gives me the same error.
Thanks
Sena
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