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 intensities and R-factors by batch number
All data Linear
Batch # obs # obs > 1 <I/sigma> N. Chi**2 R-fac
1 873 873 5.7 2.052 0.184
2 1551 1551 5.3 1.763 0.178
3 1499 1499 6.0 1.582 0.147
. . . . .
All films 1072444 1072075 6.0 1.428 0.157
The number 1072444 represents the total number of observations in this
data set. Directly below this table is one titled "Summary of
observation redundancies by shells". The bottom line of that table
looks like this:
All hkl 253 369 438 502 626 1647 2351 8257 24834
22607 61631
The number 61631 is the number of unique observations. Divide 1072444
by 61631 and you get 17.4, the overall redundancy for this dataset. (I
was trying to use high redundancy to squeeze a bit more resolution out
of a weakly diffracting crystal.) In recent versions of HKL, the
redundancy values are printed in a table as well.
Hope that helps,
Matt
On 4/17/14 10:25 AM, Faisal Tarique wrote:
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, <[email protected]
<mailto:[email protected]>> wrote:
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:[email protected]
<mailto:[email protected]>] *Im Auftrag von *Faisal Tarique
*Gesendet:* Donnerstag, 17. April 2014 16:12
*An:* [email protected] <mailto:[email protected]>
*Betreff:* [ccp4bb] relation between redundancy and total reflection
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 in the log file but i am more
concerned about locating of total reflections and no of unique
reflections and its relation to redundancy..
--
Regards
Faisal
School of Life Sciences
JNU
--
Regards
Faisal
School of Life Sciences
JNU
--
Matthew Franklin, Ph. D.
Senior Scientist
New York Structural Biology Center
89 Convent Avenue, New York, NY 10027
(212) 939-0660 ext. 9374
