Hi Graeme, I'm sorry for the problem! Can you possibly send me (at [email protected]) the data file so I can see what is going wrong? Thanks! -Tom T ________________________________________ From: [email protected] [[email protected]] on behalf of Graeme Winter [[email protected]] Sent: Tuesday, July 10, 2012 7:17 AM To: PHENIX user mailing list Subject: [phenixbb] Phenix autosol error 2L MAD Hi Folks, 2L MAD data set where SHELXC/D/E works fine I (repeatedly) get this error, through GUI or scripts... resolution: 1.7 recommended_resolution: 1.9 datafile_for_hyss: /Users/graeme/projects/test/12287_build/AutoSol_run_10_/TEMP0/ANISO_subset_PHX_I(+)_WAVE1.sca_ano_1.sca aniso_corrected: True aniso_b_min: 13.2 aniso_range_of_b: 6.8 RUNNING HYSS on ANISO_subset_PHX_I(+)_WAVE1.sca_ano_1.sca from PDS as miller arrays *************ERROR ENDING ******************* ******************************************************************************** Failed to carry out AutoSol_hyss: HYSS failed...Probably no iso or ano differences... ******************************************************************************** *************ERROR ENDING ******************* The data set works fine with a third (radiation damaged) data set. There is also a massive anomalous signal in the data (2L) as it stands. here's the PHIL: autosol { seq_file = 12287.seq sites = 8 atom_type = Se crystal_info { unit_cell = 51.59 51.59 157.69 90 90 90 space_group = "P 43 21 2" solvent_fraction = 0.52 chain_type = PROTEIN resolution = 0 change_sg = True } wavelength { data = subset.mtz lambda = 0.97966 f_prime = -9.9 f_double_prime = 3.9 labels = 'I(+)_WAVE1 SIGI(+)_WAVE1 I(-)_WAVE1 SIGI(-)_WAVE1' } wavelength { data = subset.mtz lambda = 1.00000 f_prime = -3.3 f_double_prime = 0.5 labels = 'I(+)_WAVE2 SIGI(+)_WAVE2 I(-)_WAVE2 SIGI(-)_WAVE2' } } Have I done something wrong? Thanks, Graeme _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb