That's not quite correct. If N goes to infinity, i.e. at high or very high
data multiplicity Rmerge approaches Rmeas (Rrim).
At this point it does not matter whether you write Rmerge or Rmeas
equals 0.8 * sd(I) / I
For low multiplicity
Rrim (or Rmeas) = 0.8*sd(i)/I
is the correct expression.
If N goes to infinity, i.e. at high or very high data multiplicity Rmerge
approaches Rmeas (Rrim).
Sure. And there is nothing incorrect, because the formulas are identical.
0.8*sd(i)/I = 0.8/(I/sd(i))
But if you sum also over a shell of hs, that notation is incomplete losing the
(or Mn).
Dear all
Can anybody please tell me how redundancy is related to total no. of
observations and number of unique observations..what is the best way to
identify and locate these values in a data processed through HKl2000..I
know that completeness, redundancy, Rsymm, I/isig etc can easily be located
Dear Faisal,
redundancy is total no. of observed reflections divided by no. of unique
reflections, i.e. how often each unique reflection has been measured on average.
Herman
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Faisal
Tarique
Gesendet: Donnerstag, 17. April
Dear Herman
Where these values can be located..i.e. total no of reflections and no of
unique reflections..which processed log file is the optimum one to look
into..??
regards
Faisal
On Thu, Apr 17, 2014 at 7:48 PM, herman.schreu...@sanofi.com wrote:
Dear Faisal,
redundancy is total no.
If one is using the HKL GUI, then click on the menu bar button Report and
read the report that is generated.
One caveat is that HKL will count any systematically absent reflections in the
input files as part of the total number of observations. I forget if scalepack
counts the systematically
Hi Faisal -
These numbers can be found near the bottom of the Scalepack log file.
In HKL2000, this has a default name of scale.log but you can rename it
to anything you want in the Scaling window of HKL2000.
You will find a table that looks like this:
Summary of reflection
Dear all,
one of my colleagues has probably a twin and he can't find the good
solution or the twin law.
Using XDS he has obtained the space group P212121 and a unit cell of a=
55.54 b= 60.72 c= 121.4 and all angles are 90°.
In this unit cell b is approximately equal to 1/2 c.
Datas are good
Dear Thomas,
There are many options to test before a diagnosis can be made.
When do you say that the electron density is bad, do you mean that it looks
like a map for a lower resolution dataset or do you see other problems?
What is the analysis from TRUNCATE? Do you see any anormality (i.e.
Thank you every body..your suggestions really helped me and i got my answer
as well.
On Thu, Apr 17, 2014 at 8:15 PM, Matthew Franklin mfrank...@nysbc.orgwrote:
Hi Faisal -
These numbers can be found near the bottom of the Scalepack log file. In
HKL2000, this has a default name of
Hi Faisal,
Take a look at Marjorie Harding's website
http://tanna.bch.ed.ac.uk
Loads of information there.
Hth,
Dave
Dr David C Briggs PhD
http://about.me/david_briggs
On 17 Apr 2014 21:16, Faisal Tarique faisaltari...@gmail.com wrote:
Dear all
Can anybody please explain what is the
And what if the site(s) is(are) a mixture of bound metal ions? What if Mg++,
Ca++, Na+, Mn++, et al. are bound at the same site(s)? Can the diffraction
data rule that out?
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Faisal Tarique
Hi David and Faisal,
That’s a great page. I would also like to recommend the “CheckMyMetal” server:
http://csgid.org/csgid/metal_sites/
In addition to the Harding reference one of my favorites is this one:
Zheng,H. et al. (2008) J. Inorg. Biochem., 102, 1765-1776.
Data mining of metal ion
See below.
Ceeers,
___
Roger S. Rowlett
Gordon Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu
On 4/17/2014 4:13 PM,
Dear All,
Thank you very much for all your
suggestions, I guess I will busy for some time now. I have list out the
suggestions I got for whom might be interested.
Improving crystal shapes:
l Add 10-20% organic solvent (menthol, ethanol, propanol, butanol, acetone,
etc) to
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