[ccp4bb] AW: [ccp4bb] [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-07 Thread Herman . Schreuder
@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML. Tassos, I'm no expert either, and there are caveats for using this formula on correlated magnitudes. But I would assume that the intensities of twin related

Re: [ccp4bb] [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-07 Thread Fulvio Saccoccia
A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes zero, so you are dividing by zero. With good

Re: [ccp4bb] R: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-07 Thread Tim Gruene
PhD Dept. of Biochemical Sciences Sapienza University of Rome 5, Piazzale A. Moro 00185 phone +39 0649910556 Messaggio Originale Da: herman.schreu...@sanofi.com Inviato: 06/11/2013, 17:25 A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated

Re: [ccp4bb] [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-07 Thread Jens Kaiser
5, Piazzale A. Moro 00185 phone +39 0649910556 Messaggio Originale Da: herman.schreu...@sanofi.com Inviato: 06/11/2013, 17:25 A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals

[ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals

2013-11-06 Thread Herman . Schreuder
Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes zero, so you are dividing by zero. With good refinement programs (ShelX, Refmac), refinement is done against twinned data, which is better than to detwin the data with the formula you mention. As I

[ccp4bb] R: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals

2013-11-06 Thread Fulvio Saccoccia
Inviato: 06/11/2013, 17:25 A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes zero, so you are dividing by zero. With good

Re: [ccp4bb] R: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals

2013-11-06 Thread Tim Gruene
Originale Da: herman.schreu...@sanofi.com Inviato: 06/11/2013, 17:25 A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes

Re: [ccp4bb] R: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-06 Thread Jens Kaiser
: herman.schreu...@sanofi.com Inviato: 06/11/2013, 17:25 A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes zero, so you

Re: [ccp4bb] [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals; Sorry for HTML.

2013-11-06 Thread Jens Kaiser
A: CCP4BB@JISCMAIL.AC.UK Oggetto: [ccp4bb] AW: [ccp4bb] uncertainites associated with intensities from twinned crystals Dear Fulvio, you cannot detwin perfectly twinned data with this formula. The term (1-2α) becomes zero, so you are dividing by zero. With good refinement