Dear Claire,you have only one dataset in the "group of datasets" being analysed
by BLEND. No dendrogram is supposed to be generated by BLEND with just one
dataset.
Concerning your second question, alternative indexing is managed internally by
POINTLESS, which BLEND calls when preparing merged data from combination of
datasets, before scaling (carried out by AIMLESS).
Regards,
James
Dr James Foadi PhD Diamond Light Source Ltd. Diamond House Harwell Science and
Innovation Campus Didcot Oxfordshire OX11 0DE United Kingdom office email:
james.fo...@diamond.ac.uk alternative email: j.fo...@imperial.ac.uk personal
web page: http://www.jfoadi.me.uk
On Wednesday, 23 November 2016, 0:27, Claire Smith <sclaire7...@gmail.com>
wrote:
Hello,
I am trying to use blend to merge several datasets. Blend seems to give "normal
termination" with no errors but no tree file is being output and no clustering
analysis is being done. Does anyone have an explanation for this? Logfile
pasted below.
Also a related question - how do I ensure that the different data sets are not
alternatively indexed - they use the same origin?
Many thanks,Claire
You are now running BLEND in analysis mode.
Reading from file mtz_names.dat .........
Spacegroup information obtained from library file: Logical Name: SYMINFO
Filename: /Applications/ccp4-6.4.0/lib/data/syminfo.lib
Loading datasets from all valid reflection files .........Loading complete.
Partitioning datasets into groups with same bravais lattice .........These
datasets are partitioned in 1 group.The following crystals are part of bravais
lattice n. 7: 1 Building summary table listing all crystals .........
$TABLE: Summary of type I parameters :$GRAPHS: Cell Parameters (a,
b, c) : N : 1, 2, 3, 4 : : Cell Parameters (alpha, beta,
gamma) : N : 1, 5, 6, 7 : : Cell Volume :
N : 1, 8 : : Mosaicity : N : 1, 9
:$$Crystal a b c alpha beta gamma Cell_Volume Mosaicity
Resolution(low) Resolution(high) Wavelength $$$$ 1 96.667
131.331 131.394 90.00 90.00 90.00 1668095.82 0.10600 54.336
1.549 0.97949$$
Summary information is included in file BLEND_SUMMARY.txt
########################################################################################################################################################################################################
BLEND - Normal Termination
####################################################################
#CCP4I TERMINATION STATUS 1 #CCP4I TERMINATION TIME 18 Nov 2016 20:41:05#CCP4I
TERMINATION OUTPUT_FILES /Users/sclaire/Desktop/blend_3#CCP4I MESSAGE Task
completed successfully
