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On Wed, Mar 23, 2011 at 11:15 AM, Bryan Lepore wrote:

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i see:

Test (R-free flags) flag value: 1

is the work set the negation?

I'm not sure I understand the question,

test =1 work = anything except for 1

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but the work set (when assigned by Phenix) is 0.

then if the test set has numbers other than 1 or 0 (e.g. from ccp4 - see link below) i take this to mean they are neither work nor free (i.e. Kleywegt's R_sleep) ... IIUC....

No, because the CCP4 (and from memory CNS was similar) method originally split the data into n equal sized groups and assigned each group a number from 1-n. So the Free set had the flag set to 1 and the other (n-1) values formed the working set. As explained in the link, these different sets (20 sets for a 5% Rfree group) were used for validation in density modification methods. This communication is from Cancer Research UK. Our website is at www.cancerresearchuk.org. We are a registered charity in England and Wales (1089464) and in Scotland (SC041666) and a company limited by guarantee registered in England and Wales under number 4325234. Our registered address is Angel Building, 407 St John Street, London, EC1V 4AD. Our central telephone number is 020 7242 0200. This communication and any attachments contain information which is confidential and may also be privileged. It is for the exclusive use of the intended recipient(s). If you are not the intended recipient(s) please note that any form of disclosure, distribution, copying or use of this communication or the information in it or in any attachments is strictly prohibited and may be unlawful. If you have received this communication in error, please notify the sender and delete the email and destroy any copies of it. E-mail communications cannot be guaranteed to be secure or error free, as information could be intercepted, corrupted, amended, lost, destroyed, arrive late or incomplete, or contain viruses. We do not accept liability for any such matters or their consequences. Anyone who communicates with us by e-mail is taken to accept the risks in doing so.

Hi Nat,

I don't think it's currently possible to flag a set of reflections as neither work or test, although this might be a good idea for the future.

it's not possible - you are right, but it is very easy to add. As you know recently I added two states to fmodel: passive and active arrays, so to allow a set of reflections that is completely set aside (not part of work and not part of test sets) that would be just one or a few selection line somewhere where we go from passive to active arrays. Pavel.