Re: [ccp4bb] unique reflections vs unique observations

2012-04-15 Thread Jim Pflugrath
behalf of Naveed A Nadvi [nnad2...@uni.sydney.edu.au] Sent: Sunday, April 15, 2012 3:06 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] unique reflections vs unique observations Dear CCP4 users, I am a bit confused about the use of these terms in regards to structure refinement statistics. Wh

Re: [ccp4bb] unique reflections vs unique observations

2012-04-15 Thread Andrew Leslie
Dear Naveed, The situation can indeed be a bit confusing. The term "observations" is actually used with two different senses in SCALA. The first is in text such as the following: Number of observations read :62154 Number of unique reflections read

[ccp4bb] unique reflections vs unique observations

2012-04-15 Thread Naveed A Nadvi
Dear CCP4 users, I am a bit confused about the use of these terms in regards to structure refinement statistics. When I process my data with SCALA, the program outputs statistics in terms of "total and unique numbers of observations". However, when I use the MTZ files with REFMAC, the final PDB