19150 0.87
Best wishes,
Pierre Legrand
PROXIMA-1 Beamline
Synchrotron SOLEIL
De: "Nicolas Foos" mailto:nicf...@embl.fr>>
À: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Envoyé: Mardi 26 Juillet 2022 08:36:35
Objet: Re: [ccp4bb] Comparing two datasets
Hi Mirek,
I
hrotron-soleil.fr> wrote:
> > >>>>>
> > >>>>> Hello Mirek,
> > >>>>>
> > >>>>> A very quick approach for that is offered by pointless:
> > >>>>>
> > >>>>> poi
;>> A very quick approach for that is offered by pointless:
> >>>>>
> >>>>> pointless HKLREF 1_1_aimless.mtz HKLIN 2_1_aimless.mtz
> >>>>> or
> >>>>> pointless HKLREF 1_1_aimless.mtz XDSIN XDS_ASCII.HK
> &g
;
>>>>> pointless HKLREF 1_1_aimless.mtz HKLIN 2_1_aimless.mtz
>>>>> or
>>>>> pointless HKLREF 1_1_aimless.mtz XDSIN XDS_ASCII.HK
>>>>>
>>>>> You will obtain a table looking like that, taking into account to
>>>&
exing:
>>
>> Alternative indexing scores relative to reference
>>Alternative reindexingLklhd CC R(E^2)Number
>> Cell_deviation
>> 1 [h,k,l] 0.9930.9620.118
>> 19150 0.08
>> 2
gt;> pointless HKLREF 1_1_aimless.mtz HKLIN 2_1_aimless.mtz
>>>>> or
>>>>> pointless HKLREF 1_1_aimless.mtz XDSIN XDS_ASCII.HK
>>>>>
>>>>> You will obtain a table looking like that, taking into account to
>>>>> possible reindexing:
;>>>
>>>> Alternative indexing scores relative to reference
>>>>Alternative reindexingLklhd CC R(E^2)Number
>>>> Cell_deviation
>>>> 1 [h,k,l] 0.9930.9620.118 19150
>
[h,k,l] 0.9930.9620.118
> 19150 0.08
> 2 [-k,h,l] 0.0070.0780.512
> 19150 0.87
>
>
> Best wishes,
>
> Pierre Legrand
> PROXIMA-1 Beamline
> Synchrotron SOLEIL
>
> --
0.9930.9620.118 19150
>> 0.08
>> 2 [-k,h,l] 0.0070.0780.512 19150
>> 0.87
>>
>>
>> Best wishes,
>>
>> Pierre Legrand
>> PROXIMA-1 Beamline
>> Synchrotron SOLEIL
>
0.118 19150
> 0.08
> 2 [-k,h,l] 0.0070.0780.512 19150
> 0.87
>
>
> Best wishes,
>
> Pierre Legrand
> PROXIMA-1 Beamline
> Synchrotron SOLEIL
>
> De: "Nicolas Foos"
> À: CCP4BB@JISCMAIL.AC.UK
>
MAIL.AC.UK
Envoyé: Mardi 26 Juillet 2022 08:36:35
Objet: Re: [ccp4bb] Comparing two datasets
Hi Mirek,
I am pretty sure XSCALE will do that for you : [
https://xds.mr.mpg.de/html_doc/xscale_program.html |
https://xds.mr.mpg.de/html_doc/xscale_program.html ]
If not, maybe have a look on SHE
Hi Mirek,
I am pretty sure XSCALE will do that for you :
https://xds.mr.mpg.de/html_doc/xscale_program.html
If not, maybe have a look on SHELXC in SIR mode.
Hope this help.
Nicolas
On 25/07/2022 21:52, Cygler, Miroslaw wrote:
Hi,
I would like to calculate the R-merge for Fs from two datase
Hello, I looked thru the program list in ccp4i and Combat caught my eye. Seems
you can input an MTZ file of amplitudes and output a multirecord MTZ, and you
can specify a batch number. If you did the same for your second dataset with a
different batch number you could then append them with Sortm
I think that SCALEIT should be able to do this. This was originally designed to
compare Fs for Native and heavy atom derivate data, but can compare any two
similar datasets (ie those that can sensibly be scaled together). You will need
to merge the two mtz files first.
Cheers,
Andrew
> On 25
Hi,
I would like to calculate the R-merge for Fs from two datasets processed from
two different crystals. Tried to use Blend but got the message that Blend
requires R. Downloaded R but do not know how to tell CCP4 where it is located
on my Mac. Is there another program that would take two mtg fi
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