[ccp4bb] Beamline scientist position at the HZB BESSY II MX-beamlines (application reference: F 2012/18), deadline 18.11. 2012

2012-10-19 Thread Müller , Uwe
The HZB MX-team is seeking a beamline scientist to support the operations of the three MX-beamlines at BESSY-II. The initial contract will run over a period of three years. Payment will be on the basis of germans TVöD-Bund salary scheme. HZB-MX is offering state-of-the-art MX-beamlines to the

Re: [ccp4bb] Twinned Data

2012-10-19 Thread vellieux
Hello, I am afraid that you aren't saying (writing) enough to describe the problem(s) you are facing... Twin fraction ? How many crystals were used to collect the diffraction data (remember that there are polar space groups, where c going up is different from c going down) etc etc. Without

Re: [ccp4bb] imosflm, bad predictions - solved!

2012-10-19 Thread Harry Powell
Hi This was indeed the issue - on this beamline (I think it's 19-ID-D at APS, but I'm waiting on confirmation of this) the phi axis rotates the opposite way to usual, so Mosflm needs to be told. (As an aside, in the most recent release we automatically check the serial number of the detector

[ccp4bb] Twinned Data - more information

2012-10-19 Thread Iris Gawarzewski
Hello everybody, I collected datasets with a resolution to 2.8A from 3 crystal grown in the same condition. The space group seems to be P63. Statistic of XSCALE.LP SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE = -3.0 AS FUNCTION OF RESOLUTION RESOLUTION NUMBER OF REFLECTIONSCOMPLETENESS

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Victor Lamzin
Just a few additional ideas on the significance of the presented values of the correlation coefficient. For samples of size N from a bivariate normal with correlation r, its standard deviation is approximately StDev(R) = (1 - R^2)/sqrt(N – 1) - note that it depends on the number of points

Re: [ccp4bb] Twinned Data - more information

2012-10-19 Thread vellieux
Well, the first thing I note is that P6(3) is a polar space group. Hence what I would do myself is the following: take your crystal 'number 1' (as a reference); take the results of XDS for crystal number 2 (XDS_ASCII.HKL) and reindex it; try to see which of the original XDS_ASCII or the

[ccp4bb] Beamline scientist position at the HZB BESSY II MX-beamlines (application reference: F 2012/18), deadline 18.11.2012

2012-10-19 Thread Müller , Uwe
The HZB MX-team is seeking a beamline scientist to support the operations of the three MX-beamlines at BESSY-II. The initial contract will run over a period of three years. Payment will be on the basis of germans TVöD-Bund salary scheme. HZB-MX is offering state-of-the-art MX-beamlines to the

[ccp4bb] Fwd: [ccp4bb] PNAS on fraud

2012-10-19 Thread Carter, Charlie
Begin forwarded message: Date: October 19, 2012 4:40:35 AM EDT To: Randy Read rj...@cam.ac.ukmailto:rj...@cam.ac.uk Subject: Re: [ccp4bb] PNAS on fraud This thread has been quite interesting to me. I've had a long interest in scientific fraud, which I've generally held to be victimless. While

Re: [ccp4bb] CCP4-6.3.0 installtion

2012-10-19 Thread William G. Scott
On Oct 18, 2012, at 3:39 PM, Kip Guja k...@pharm.stonybrook.edu wrote: If the output says: /bin/bash then do source /Applications/ccp4-6.3.0/bin/ccp4.setup-sh ccp4i If the output says: /bin/tcsh or /bin/csh then do source /Applications/ccp4-6.3.0/bin/ccp4.setup-csh ccp4i You need

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Dom Bellini
Dear Charlie, Do you mean that small doses of fraud should be accepted as a form of natural evolution? Or perhaps you were suggesting that genuine errors/mistakes are acceptable in 1/1 due to the high costs of spotting them? D From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Zhijie Li
Hi Phillippe, If looking only at the figs. 3A,B,C in the PNAS paper alone, yes, I would agree with you that the proposed correlation is quite weak. Without the help of the trend lines, I would probably conclude that there is no correlation between the IF and number of retractions by a simple

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Carter, Charlie
Dom, You've opened a pandora's box here, which I won't try to contain. The short answer is both of the above. I feel it is becoming increasingly difficult as a referee to be on top of every paper I review, and as an editor it is becoming increasingly difficult to find willing referees. Both

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Colin Nave
This is worth looking at as well. Suggests most papers should be retracted! http://www.plosmedicine.org/article/info:doi/10.1371/journal.pmed.0020124 Colin From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Carter, Charlie Sent: 19 October 2012 17:55 To: ccp4bb Subject: Re:

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Ethan Merritt
On Friday, October 19, 2012 10:12:44 am Colin Nave wrote: This is worth looking at as well. Suggests most papers should be retracted! http://www.plosmedicine.org/article/info:doi/10.1371/journal.pmed.0020124 A paper claiming that all papers are false, by someone named Ioannidis? I wonder if

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread George DeTitta
This gets us more into the philosophy of science but I've always felt authors had a right to speculate in the discussion sections of their papers on what it all means. And speculate even past the information in the actual data (see for example the wonderfully prescient final lines of the

[ccp4bb] A case of post publication fraud...Re: [ccp4bb] Fwd: [ccp4bb] PNAS on fraud

2012-10-19 Thread Jrh
Dear Colleagues, A different type of, post publication, fraud is the case of the discovery of streptomycin. See :- http://www.thelancet.com/journals/lancet/article/PIIS0140-6736(12)61202-1/fulltext I am just returned from the ICSTI Conference on Science, Law and Ethics in Washington DC

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread Bernhard Rupp (Hofkristallrat a.D.)
I think the real point here is that a difference exits between divergent interpretation of legitimate evidence - which is normal scientific epistemology - or whether the presented 'evidence' is in some fashion tampered with. The former is healthy procedure and (I hope) not subject of disagreement

Re: [ccp4bb] PNAS on fraud

2012-10-19 Thread William Kennedy
CCP4- intetesting topic and many off-target topics veing discussed. John Ionnandis' work, who is an epidemiologist and statistician, addresses issues in the design and interpretation of GWAS studies for SNPs and disease associations in one hand and clinical studies, especially Phase III

Re: [ccp4bb] A case of post publication fraud...Re: [ccp4bb] Fwd: [ccp4bb] PNAS on fraud

2012-10-19 Thread Bryan Lepore
On Fri, Oct 19, 2012 at 2:20 PM, Jrh jrhelliw...@gmail.com wrote: Dear Colleagues, A different type of, post publication, fraud is the case of the discovery of streptomycin. See :- http://www.thelancet.com/journals/lancet/article/PIIS0140-6736(12)61202-1/fulltext I can't resist posting

[ccp4bb] off topic: a Python online course and others

2012-10-19 Thread Aksyuk, Anastasia (NIH/NIAMS) [F]
Hello all, Considering that many biologists come to the field with no background in programming (like me) and want to learn a scripting language, I thought that many young members of the community might find this useful. There's an ongoing FREE online course An Introduction to Interactive

[ccp4bb] Jrh further Re: [ccp4bb] A case of post publication fraud...Re: [ccp4bb] Fwd: [ccp4bb] PNAS on fraud

2012-10-19 Thread Jrh
One of the hardest things for an author, and a handling Editor, is making sure that the references list of a submitted article is complete, but is an easier task now with our e-tools than in the days of the penicillin discovery. Another case is that of Einstein's special theory article of 1905

Re: [ccp4bb] off topic: a Python online course and others

2012-10-19 Thread Nian Huang
Hi, For those starters on python programming, I strongly recommend Hanns Petter Langtangen's book A primer on scientific programming with python. It specifically targets the scientific programming, which we care about the most. The only thing I am not sure is that this book was written using

[ccp4bb] Salt bridge in crystallization

2012-10-19 Thread Acoot Brett
Dear All, A lot of 3-D crystal structures highlight the salt bridges in the structure, although some structures of them are got at high salt concentrations. Will you please explain to me why the protein salt bridge can still exist in the high salt concentration as used in the crystallization

Re: [ccp4bb] Salt bridge in crystallization

2012-10-19 Thread Ed Pozharski
On 10/19/2012 10:37 PM, Acoot Brett wrote: Will you please explain to me why the protein salt bridge can still exist in the high salt concentration as used in the crystallization condition? You are saying it as if there is some fundamental law of nature that says that salt bridges cannot