Re: [ccp4bb] Help for Twin Refinement in Refmac5 / CCP4i2

2021-01-26 Thread Eleanor Dodson
I fell into the same trap this week. Apparently if in the first screen you tick the box Crystal is twinned” the interface resets the input data to FMEAN (or IMEAN if you have asked to use intensitirs) and you don’t need to say TWIN . Semi logical I guess but easy to miss. Eleanor On Tue, 26 Jan 20

Re: [ccp4bb] Help for Twin Refinement in Refmac5 / CCP4i2

2021-01-25 Thread Parthasarathy Sampathkumar
Dear All, Please you may ignore my previous email. TWIN refinement in Refmac5 / CCP4i2 worked well once used "HKLOUT_0-observed_data_asIMEAN.mtz" from the data-reduction job. I am slowly getting used to the finer-aspects of CCP4i2. Previously, I used to have both Intensities and Amplitudes in a si

[ccp4bb] Help for Twin Refinement in Refmac5 / CCP4i2

2021-01-25 Thread Parthasarathy Sampathkumar
Dear All, I have not had much experience in refining structure using data from twinned crystals and has started using CCP4i2 very recently only. Here is a background: antigen-Fab crystal structure determined by MR first in P4(3)2(1)2 space group with 1-complex molecule in the asymmetric unit (ASU