e Romke" Recipient : Received Date : 2023/Jan/9(Mon) 12:21:46Subject : Re: [ccp4bb] Careless and negative Wilson B-factor
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 h
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- 원본 메일 -
보낸사람 : Eleanor Dodson
mailto:eleanor.dod...@york.ac.uk>>
받는사람 : mailto:gyuhyeok...@gist.ac.kr>>
받은날짜 : 2023/Jan/8(Sun) 10:39:39
제목 : Re: [ccp4bb] Careless and negative Wilson B-factor
I suppose so, but I would refine your final mo
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
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
Dear Gyuhyeok,
I have no first-hand experience with CARELESS.
But my understanding is that CARELESS gives you normalized structure factor
amplitudes; this "normalization" roughly corresponds to a removal (subtraction)
of the Wilson B-factor from conventionally processed structure factor
Dear Eleanor,I was wondering if the model and structure factors with the negative Wilson B-factor can be deposited in the PDB or made interpretable for biochemical experiments.The data were initially processed in XDS and the CORRECT output (XDS_ASCII.HKL) was provided to
Dear Jon,The data were obtained from a single crystal.Gyuhyeok- 원본 메일 -보낸사람 : Jon Cooper <488a26d62010-dmarc-requ...@jiscmail.ac.uk>받는사람 : 받은날짜 : 2023/Jan/6(Fri) 21:48:21제목 : Re: [ccp4bb] Careless and negative Wilson B-factorHello, are the data from serial crystallography? The
Dear Jon and Gyuhyeok
the real connaisseurs (e.g. Kay Diedrichs, et al) will certainly respond much
better to this!
Redundancy is really high here (which is good of course), likely explaining the
high-ish Rmerge.
Indeed, “redundancy-aware“ indices, like Rpim, are much better, and actually
Hello, are the data from serial crystallography? The redundancy and the CC's
are very good but the R-merge (an unpopular metric these days) is quite high?
Cheers, Jon Cooper2
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Original Message
On 6 Jan 2023, 08:17, 조규혁 wrote:
> Dear all,
>
> I
The tool must have sharpened your data - sometimes enhancing the outer data
does improve the electron density..
So I wouldnt worry about that "negative" B factor - it is doubtless a
result of the "careless" run, and not presumably the one you got at the
data processing step..
Eleanor
On Fri, 6
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