Re: [ccp4bb] Rmergicide Through Programming

HI Jacob Yes, I got this - and I appreciate the benefit of Rmeas for dealing with measuring agreement for small-multiplicity observations. Having this *as well* is very useful and I agree Rmeas / Rpim / CC-half should be the primary “quality” statistics. However, you asked if there is any

Re: [ccp4bb] Rmergicide Through Programming

I asked an editor at a prominent journal to change the template file, mentioning the consensus among crystallographers about the matter, but they did not seem willing. Maybe someone with more name-recognition would be more effective. Or a circulated letter from a number of prominent

Re: [ccp4bb] Rmergicide Through Programming

I find the lack of reporting statistics of the low resolution bins unfortunate! Most statistics in Table 1 report the average across all resolutions or just the high resolution reflection shell. With respect to Rmerge, the agreement between the most intense (low resolution) symmetry related

Re: [ccp4bb] Rmergicide Through Programming

Agree although i usually look to CC1/2. Rmeas makes more sense than Rmerge but- most software reports both, so cant you just provide Rmeas yourself Probably simpler to persuade journals to alter the Table 1 requirements than get all developers to comment those lines out! Eleanor On 4 July

Re: [ccp4bb] Rmergicide Through Programming

I suggested replacing Rmerge/sym/cryst with Rmeas, not Rpim. Rmeas is simply (Rmerge * sqrt(n/n-1)) where n is the number of measurements of that reflection. It's merely a way of correcting for the multiplicity-related artifact of Rmerge, which is becoming even more of a problem with data sets

[ccp4bb] [off-topic] PhD position available

Dear all, A BBSRC funded PhD position is available in my laboratory in Exeter, focusing on enzymes for synthetic biology. The work is most likely going to be more enzymology than structural work, but please pass this on to any candidates who might be interested. Full details are available

Re: [ccp4bb] Rmergicide Through Programming

HI Jacob Unbiased estimate of the true unmerged I/sig(I) of your data (I find this particularly useful at low resolution) i.e. if your inner shell Rmerge is 10% your data agree very poorly; if 2% says your data agree very well provided you have sensible multiplicity… obviously depends on

[ccp4bb] New Position: Product Development Scientist at TTP Labtech (UK)

Dear All, Please find the description for a new recruitment below. Any inquiries or applications should be directed to chloe.kyria...@ttplabtech.com. Kind regards, Melanie *Product Development Scientist* *Description* TTP Labtech is looking for an experienced Scientist to help develop

[ccp4bb] long loop

Dear ALL, I want to make a protein crystal,but there is a long loop between domains of protein , which contains two small domains owning about 40 amino acids respectively and a loop about 70 amino acids. Loop is so long and flexible ,but I don't want to delete some fragments,because it may be

Re: [ccp4bb] ccp4i2 crashes on start

Dear Johannes, Many apologies, this behaviour should certainly not be expected. The cause could be quite difficult to determine, I shall start by installing a Ubuntu virtualbox myself. Best wishes, Stuart On 4 July 2017 at 13:46, Johannes Cramer wrote: > Dear CCP4

Re: [ccp4bb] Rmergicide Through Programming

>Rmerge does contain information which complements the others. What information? I was trying to think of a counterargument to what I proposed, but could not think of a reason in the world to keep reporting it. JPK On 4 Jul 2017, at 12:00, Keller, Jacob

[ccp4bb] ccp4i2 crashes on start

Dear CCP4 bb, I would like to use ccp4i2, but every time I try to start it via command line, I get the following error message: Running CCP4i2 browser from: /home/cramejo/programs/ccp4-7.0/share/ccp4i2 > Python 2.7.10 (default, Aug 28 2015, 12:10:46) > [GCC 4.8.2 20140120 (Red Hat 4.8.2-15)] >

Re: [ccp4bb] Rmergicide Through Programming

Jacob Rmerge does contain information which complements the others. I'd prefer it remains but agree it needs to be properly understood alongside the others you mention Cheers Graeme On 4 Jul 2017, at 12:00, Keller, Jacob > wrote:

[ccp4bb] Rmergicide Through Programming

Dear Crystallographers, Having been repeatedly chagrinned about the continued use and reporting of Rmerge rather than Rmeas or similar, I thought of a potential way to promote the change: what if merging programs would completely omit Rmerge/cryst/sym? Is there some reason to continue to

[ccp4bb] Postdoctoral protein crystallography position at The Institute of Cancer Research - Deadline approaching

The Institute of Cancer Research, London, is one of the world’s most influential cancer research institutes, with an outstanding record of achievement dating back more than 100 years. We provided the first convincing evidence that DNA damage is the basic cause of cancer, laying the foundation

[ccp4bb] POSTDOCTORAL POSITION IN MILAN

STRUCTURAL BIOLOGY POSTDOCTORAL POSITION IN MILAN (ITALY) A 2/3 year Postdoc position is available in the Structural Vaccinology division of the Structural Biology Unit run by Prof. Martino Bolognesi at the Department of Biosciences (University of Milan). The hired Postdoc will carry out the