Report on BUSTER refinement run in directory ./1pmq_05

WARNING:

B anisotropy ratio not stable between big cycles (varies from 0.340 to 0.382)

Refinement vital statistics
	initial	final
N_cycles big	`0`	`3`
N_cycles small	`0`	`131`
X-ray weight	`4.90`	`5.80`
R_work	`0.2211`	`0.2012`
R_free	`0.2366`	`0.2305`
*100(R_free-R_work)**	`1.6%`	`2.9%`
LLG_work (cumulative Log-Likelihood Gain, working set)	`0`	`0.1162`
LLG_free (cumulative Log-Likelihood Gain, free set)	`0`	`-0.0273`
RMS bond in Å	`0.0088`	`0.0096`
RMS angle in degrees	`0.97`	`0.99`
High resolution limit in Å	`2.10`	`2.10`
Low resolution limit in Å	`16.94`	`16.94`
Number of waters	`54`	`54`
help? see BUSTER wiki Refinement vital statistics

reciprocal space correlation coefficient plots
start `mtv svg agr png pdf`	final `mtv svg agr png pdf`
help? see BUSTER wiki interpreting reciprocal-space CC plots

Run conditions
refine command	`/mnt/public/xtal/Server-nightly-beta-consortium-linux64/autoBUSTER/bin/linux64/refine -p 1pmq_04_ab_cation_two_alts-report/1pmq_04_ab_cation_two_alts.pdb -m dataAnsisotropyServer.mtz -l 880_cation.grade.cif -Gelly 03_occupancy_refine.Gelly -M TLSbasic -nbig 3 -d /scratch/osmart/2014/11/./1pmq_05_dataAnsisotropyServer`
BUSTER version, run at, by user	`2.11.6, Sun Nov 9 13:53:20 GMT 2014, osmart`
in directory	`/home/osmart/2014/11/1pmq_rerefine`
nthreads, hostname, OS	`6, hypatia, Ubuntu precise (12.04.4 LTS)`
buster-report command	`/public/xtal/Server-nightly-beta-consortium-linux64/scripts/buster-report -d ./1pmq_05_dataAnsisotropyServer -f`
buster-report version, run at, by user	`1.1.3 <July 23 2014>, Sun Nov 9 13:58:37 2014, osmart`
buster-report run on refine directory	`/home/osmart/2014/11/1pmq_rerefine/1pmq_05_dataAnsisotropyServer`
buster-report output directory	`/home/osmart/2014/11/1pmq_rerefine/1pmq_05_dataAnsisotropyServer-report`
final pdb coordinates	`1pmq_05_dataAnsisotropyServer.pdb`
final mtzfile	`1pmq_05_dataAnsisotropyServer.mtz`
this report pdf version	`report.pdf`
this report tsv version	`report.tsv`
this report xml version	`report.xml`
help? see BUSTER wiki Run conditions table