(MRC,RAL,RCAH)
Cc: ccp4bb
Subject: Re: [ccp4bb] Phaser Fatal runtime error.
We have an in-house Agilent (Oxford) system and routinely use data with CCP4.
You will need to run sortmtz, scala (w/constant scale), and truncate to prep
the data properly. This can be done via batch file or GUI.You may
Data from Crysalis in mtz format are not merged I think - you have to go
through the scale and merge step in Scala first ...
Jan Dohnalek
On Tue, Jun 26, 2012 at 11:21 PM, Steiner, Roberto
roberto.stei...@kcl.ac.uk wrote:
Don't know where the exact problem is. However, it is definitely
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jan
Dohnalek
Sent: 27 June 2012 07:30
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Phaser Fatal runtime error.
Data from Crysalis in mtz format are not merged I think - you have to go
through the scale and merge step in Scala
I suspect you didn't request the FreeR assignment on the TRUNCATE interface?
This calls amongst other programs, CAD and CAD makes sure that the reflection
list is unique and that it is in a standard asymmetric unit. Most people do it
by default so don't hit these problems...
I suggest you just
Just to be clear, Phaser does not require the reflections to be in a
standard asymmetric unit, only that they are unique (as the error message
thrown says).
Airlie
On Jun 27 2012, Eleanor Dodson wrote:
I suspect you didn't request the FreeR assignment on the TRUNCATE
interface? This calls
We have an in-house Agilent (Oxford) system and routinely use data with
CCP4. You will need to run sortmtz, scala (w/constant scale), and truncate
to prep the data properly. This can be done via batch file or GUI.You may
also have to reset/reassign the space group for some space groups due to an
Dear CCP4bb
I have collected a data-set using the supernova x-ray generator from Agilent
and taken the mtz file generated by the data processing software in crysalis
pro forward for structure solution. The data collection was straight forward
and the software seemingly processed the data
Don't know where the exact problem is. However, it is definitely possible to
use a Crysalis-Scala-Truncate-Phaser pipeline without runtime errors. I have
done a few times.
I am sure you will be able to get help from Agilent people. If not, feel free
to get back to me.
Best
Roberto
On 26 Jun
