Hi Sena, I'm sorry for the trouble! There is supposed to be an earlier error message that helps you more than that one, and it is not getting printed here. Can you try these things: 1. What version of phenix is this (hopefully 1.5-2, if not...that is the place to start). 2. Try these commands phenix.autosol show_labels= iafinal_d212121.mtz phenix.autosol show_labels=s10final_d212121.mtz phenix.autosol show_labels=s23final_d212121.mtz 3. You can then use the labels="xxxx" that are output from step 2 (see the labels for "autosol") from this as an extra line for each input file in your parameters file like this: native { data = iafinal_d212121.mtz labels="I,SIGI" } Also if you want to send me directly ([email protected]) these data files it may help me fix autosol so that it gives a better error message... All the best, Tom T On Nov 5, 2009, at 3:43 PM, Rajagopalan, Senapathy wrote:
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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