Re: [ccp4bb] Careless and negative Wilson B-factor

2023-01-08 Thread 조규혁
Dear Doeke,Thank you for developing such excellent software! I will try the options you suggested and post any additional issues to GitHub.Regarding the R-merge, R-meas, and R-pim values, I used the XDS CORRECT output (XDS_ASCII.HKL) as the "Unmerged data" and an mtz file obtained from each of the

Re: [ccp4bb] Careless and negative Wilson B-factor

2023-01-08 Thread Hekstra, Doeke Romke
Dear Gyuhyeok, Please feel free to describe any challenges with settings for Careless at https://github.com/rs-station/careless/issues We will be happy to help and improve our online documentation accordingly. I assume some of the statistics you report below are simply duplicated from Aimless?

Re: [ccp4bb] Careless and negative Wilson B-factor

2023-01-08 Thread Hekstra, Doeke Romke
Hi Gyuhyeok and everyone, Thank you. We developed Careless to support scaling and merging of data from a wide range of diffraction experiments, including Laue, XFEL, time-resolved/serial, etc. Nice to hear that your electron density maps look promising. This is new software and we will continu

Re: [ccp4bb] Careless and negative Wilson B-factor

2023-01-08 Thread 조규혁
Dear Eleanor, I agree that the decrease in the B-factor is likely due to "Careless."The author of this article seems to recognize Wilson B-factor issues during the peer review process (https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-022-35280-8/MediaObjects/41467_2022_35280_MOESM2_ES