[ccp4bb] RES: [ccp4bb] Large number of outliers in the dataset

bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Em nome de Xiao Lei Enviada em: quinta-feira, 30 de março de 2017 08:44 Para: CCP4BB@JISCMAIL.AC.UK Assunto: Re: [ccp4bb] Large number of outliers in the dataset This case is encouraging to me that a structure can be solved with such high mosaicity

Re: [ccp4bb] Large number of outliers in the dataset

This case is encouraging to me that a structure can be solved with such high mosaicity (in your report is 1.9). I wonder how the diffraction looks like (I imagine spots smearing or streak). With such high mosaicity, the unit cell dimension and space group determination is highly likely not

Re: [ccp4bb] Large number of outliers in the dataset

In addition to what Nicolas has pointed out, is it quite suspicious to me that you have the same multiplicity in the high resolution shell as in the low resolution. On Mar 29, 2017 18:17, Nicolas FOOS wrote: Dear Juliana, all the statistics

Re: [ccp4bb] Large number of outliers in the dataset

ira de Oliveira [juliana.olive...@lnbio.cnpem.br] > *Sent:* Wednesday, March 29, 2017 9:54 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] Large number of outliers in the dataset > > Hello, > > I have one dataset at 2.3 Å (probably it can be better, I/σ = 2.1 and > CC1/2 =

Re: [ccp4bb] Large number of outliers in the dataset

CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Onderwerp: Re: [ccp4bb] Large number of outliers in the dataset Dear Juliana, all the statistics presented here looks good in terms of resolution cut (maybe I will be less sever). For me the point is about the mosaicity you report 1.90 it's high i

Re: [ccp4bb] Large number of outliers in the dataset

Dear Juliana, all the statistics presented here looks good in terms of resolution cut (maybe I will be less sever). For me the point is about the mosaicity you report 1.90 it's high in my opinion. How looks you images? I am wondering if the indexation is really right. And maybe the complain

Re: [ccp4bb] Large number of outliers in the dataset

One thing that sometimes helps me in this situation is reprocess and refine in lower symmetry like P21. It could be you have pseudosymmetry and need to model more molecules in the AU to better reflect your data. Sometimes this can help. If that doesn't work, then you may have to stick with your

Re: [ccp4bb] Large number of outliers in the dataset

To be really convinced I think you should also compare the maps at 2.6 and 2.3 Å. If the 2.3 Å map looks better, go for it. If it doesn’t look better, perhaps you are adding noise, but the I/sigma and CC1/2 values suggest you aren’t. Perhaps try 2.5 and 2.4 Å also. And perhaps remove a

Re: [ccp4bb] Large number of outliers in the dataset

It is not clear to me why you believe that cutting the resolution of the data would improve your model (which after all is the aim of refinement). At the edge CC(1/2) and I/sigI are perfectly respectable, and there doesn’t seem to be anything wrong with the Wilson plot. Th R-factor will of

[ccp4bb] Large number of outliers in the dataset

Hello, I have one dataset at 2.3 Å (probably it can be better, I/σ = 2.1 and CC1/2 = 0.779, the summary data is below), but when I perform Xtriage analysis it says that “There are a large number of outliers in the data”. The space group is P212121. When I refine the MR solution the Rfree stops