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Hi Rajan You don't really need a program: e.g. if there are N non-H atoms refined, then there are 4N params (isotropic B) or 9N (aniso). TLS adds 19 params per group to the isotropic count. You count unique reflections. -- Ian > -----Original Message----- > From: [log in to unmask] > [mailto:[log in to unmask]] On Behalf Of Rajan Pillai > Sent: 29 August 2008 00:35 > To: [log in to unmask] > Subject: Ratio of Number of Reflections to Number of > restrained Parameters > > Hi All, > > I was wondering if there is any program that calculates the > ratio of number of reflections (observation) to number of > restrained parameters. If not then how it can be calculated. > The number of reflections is it number of unique reflections > or number of the total reflections? > > Thanks, > > Rajan > > Disclaimer This communication is confidential and may contain privileged information intended solely for the named addressee(s). It may not be used or disclosed except for the purpose for which it has been sent. If you are not the intended recipient you must not review, use, disclose, copy, distribute or take any action in reliance upon it. If you have received this communication in error, please notify Astex Therapeutics Ltd by emailing [log in to unmask] and destroy all copies of the message and any attached documents. Astex Therapeutics Ltd monitors, controls and protects all its messaging traffic in compliance with its corporate email policy. The Company accepts no liability or responsibility for any onward transmission or use of emails and attachments having left the Astex Therapeutics domain. Unless expressly stated, opinions in this message are those of the individual sender and not of Astex Therapeutics Ltd. The recipient should check this email and any attachments for the presence of computer viruses. Astex Therapeutics Ltd accepts no liability for damage caused by any virus transmitted by this email. E-mail is susceptible to data corruption, interception, unauthorized amendment, and tampering, Astex Therapeutics Ltd only send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof. Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science Park, Cambridge CB4 0QA under number 3751674