Re: [ccp4bb] Quick resolution cutoff survey

2013-08-28 Thread Bosch, Juergen
Dear CCP4bb,

almost 12h have passed since I posted this question to the board. Since some of 
us get daily or weekly digests I will hold off with revealing the results. But 
the replies thus far are really interesting and exciting, and this is without 
any sarcasm tags. However we have only sampled 1.5% of the CCP4 community thus 
far.

I will try to have an almost complete reply compiled to all questions raised in 
the comments box, say in about one week.

Thanks to all those that participated,

Jürgen

..
Jürgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-2926
http://lupo.jhsph.edu

On Aug 28, 2013, at 11:32 AM, Bosch, Juergen wrote:

Since we keep discussing resolution cutoffs and the benefits of not to include 
all data etc.
I thought I would crowd source your opinion on this particular data set.

processed with XDS, here's the XSCALE.LP output:

 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION NUMBER OF REFLECTIONSCOMPLETENESS R-FACTOR  R-FACTOR 
COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT OBSERVED  UNIQUE  POSSIBLE OF DATA   observed  expected
  Corr

 9.4353651009  1028   98.2%   1.7%  2.1% 
5351   68.92 1.8%   100.0* 20.698 691
 6.67   101531756  1760   99.8%   2.2%  2.4%
10134   58.30 2.4%   100.0*   -120.6741404
 5.44   131142217  2223   99.7%   3.4%  3.5%
13097   42.38 3.7%99.9*   -100.7161845
 4.71   152732583  2592   99.7%   3.2%  3.1%
15259   46.24 3.5%99.9*   -140.7332212
 4.22   171832907  2934   99.1%   3.2%  3.2%
17173   45.14 3.6%99.9*   -160.7222538
 3.85   190103183  3217   98.9%   4.4%  4.1%
19000   37.38 4.8%99.9*   -160.7172794
 3.56   207643441  3473   99.1%   5.9%  5.6%
20752   30.36 6.5%99.9*   -130.7543061
 3.33   225163681  3712   99.2%   8.8%  8.5%
22507   22.60 9.7%99.7*   -110.7373293
 3.14   247353963  4001   99.1%  12.4% 13.0%
24725   16.7713.5%99.5*-80.6963565
 2.98   259314127  4161   99.2%  17.2% 18.1%
25924   12.8218.7%99.2*-60.7103751
 2.84   265214291  4386   97.8%  25.4% 26.9%
264959.2627.6%98.3*-40.6833809
 2.72   203573495  4592   76.1%  27.6% 29.3%
202777.9030.2%97.9* 00.7062826
 2.61   159172860  4768   60.0%  33.7% 35.0%
158396.4137.0%96.6*-20.6972171
 2.52   129492394  4944   48.4%  42.5% 45.1%
128774.9146.8%95.3* 00.6941692
 2.43   103101993  5097   39.1%  47.8% 50.7%
102304.0853.0%94.4*-20.6701295
 2.3681801693  5309   31.9%  56.4% 60.1% 
80793.1263.0%92.2*-20.671 961
 2.2960751381  5441   25.4%  69.9% 72.5% 
59712.2878.9%87.2*   -100.618 643
 2.2240011077  5610   19.2%  82.9% 81.9% 
38931.7896.0%80.7*-80.633 340
 2.162491 799  5771   13.8%  78.0% 83.6% 
23761.4792.9%75.9*-40.586 154
 2.11 786 367  59016.2% 103.0%106.4%  
6660.87   129.9%63.1*120.580  28
total  281631   49217 80920   60.8%   7.1%  7.2%   
280625   21.54 7.8%99.9*-70.706   39073

And here's the link so you can voice your opinion in a Survey Monkey. Results 
from this survey will be reported back to the CCP4bb.

http://www.surveymonkey.com/s/YNDKM6G

Thanks for your participation and no there's no iPad or iPod-touch to win, and 
you also don't have to disclose your email.

The survey has only two questions, one is just a click the other one you 
provide your opinion on your decision.

Thanks,

Jürgen

P.S low resolution shell starts at 44 Å - 9.43
P.P.S. the Table1 will be revealed once I report back the outcome of this 
survey.

..
Jürgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, M

[ccp4bb] Quick resolution cutoff survey

2013-08-28 Thread Bosch, Juergen
Since we keep discussing resolution cutoffs and the benefits of not to include 
all data etc.
I thought I would crowd source your opinion on this particular data set.

processed with XDS, here's the XSCALE.LP output:

 SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
 RESOLUTION NUMBER OF REFLECTIONSCOMPLETENESS R-FACTOR  R-FACTOR 
COMPARED I/SIGMA   R-meas  CC(1/2)  Anomal  SigAno   Nano
   LIMIT OBSERVED  UNIQUE  POSSIBLE OF DATA   observed  expected
  Corr

 9.4353651009  1028   98.2%   1.7%  2.1% 
5351   68.92 1.8%   100.0* 20.698 691
 6.67   101531756  1760   99.8%   2.2%  2.4%
10134   58.30 2.4%   100.0*   -120.6741404
 5.44   131142217  2223   99.7%   3.4%  3.5%
13097   42.38 3.7%99.9*   -100.7161845
 4.71   152732583  2592   99.7%   3.2%  3.1%
15259   46.24 3.5%99.9*   -140.7332212
 4.22   171832907  2934   99.1%   3.2%  3.2%
17173   45.14 3.6%99.9*   -160.7222538
 3.85   190103183  3217   98.9%   4.4%  4.1%
19000   37.38 4.8%99.9*   -160.7172794
 3.56   207643441  3473   99.1%   5.9%  5.6%
20752   30.36 6.5%99.9*   -130.7543061
 3.33   225163681  3712   99.2%   8.8%  8.5%
22507   22.60 9.7%99.7*   -110.7373293
 3.14   247353963  4001   99.1%  12.4% 13.0%
24725   16.7713.5%99.5*-80.6963565
 2.98   259314127  4161   99.2%  17.2% 18.1%
25924   12.8218.7%99.2*-60.7103751
 2.84   265214291  4386   97.8%  25.4% 26.9%
264959.2627.6%98.3*-40.6833809
 2.72   203573495  4592   76.1%  27.6% 29.3%
202777.9030.2%97.9* 00.7062826
 2.61   159172860  4768   60.0%  33.7% 35.0%
158396.4137.0%96.6*-20.6972171
 2.52   129492394  4944   48.4%  42.5% 45.1%
128774.9146.8%95.3* 00.6941692
 2.43   103101993  5097   39.1%  47.8% 50.7%
102304.0853.0%94.4*-20.6701295
 2.3681801693  5309   31.9%  56.4% 60.1% 
80793.1263.0%92.2*-20.671 961
 2.2960751381  5441   25.4%  69.9% 72.5% 
59712.2878.9%87.2*   -100.618 643
 2.2240011077  5610   19.2%  82.9% 81.9% 
38931.7896.0%80.7*-80.633 340
 2.162491 799  5771   13.8%  78.0% 83.6% 
23761.4792.9%75.9*-40.586 154
 2.11 786 367  59016.2% 103.0%106.4%  
6660.87   129.9%63.1*120.580  28
total  281631   49217 80920   60.8%   7.1%  7.2%   
280625   21.54 7.8%99.9*-70.706   39073

And here's the link so you can voice your opinion in a Survey Monkey. Results 
from this survey will be reported back to the CCP4bb.

http://www.surveymonkey.com/s/YNDKM6G

Thanks for your participation and no there's no iPad or iPod-touch to win, and 
you also don't have to disclose your email.

The survey has only two questions, one is just a click the other one you 
provide your opinion on your decision.

Thanks,

Jürgen

P.S low resolution shell starts at 44 Å - 9.43
P.P.S. the Table1 will be revealed once I report back the outcome of this 
survey.

..
Jürgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab:  +1-410-614-4894
Fax:  +1-410-955-2926
http://lupo.jhsph.edu