Dear Colin and Tim,
But ARPwARP uses REFMAC5 for refinement, does this means that REFMAC5 uses
all reflections as working set?
How to validate that the refinement is not over fit?
Best wishes!
Lu Zuokun
--
卢作焜
南开大学新生物站A202
At 2014-10-20 17:38:58, "Tim Gruene" <t...@shelx.uni-ac.gwdg.de> wrote:
>Dear Lu Zuokun,
>
>since you can use the output mtz-file from ArpWarp for model building,
>but not for refinement, there is no need to include the Rfree flag in
>its output file. Maybe the omission is a deliberate caveat to the users
>to pay attention to this.
>
>Best regards,
>Tim
>
>On 10/20/2014 04:41 AM, luzuok wrote:
>> Dear all,
>> I was using ARP/wARP in ccp4i, the input mtz file certainly has free R
>> flag, but the output mzt file doesn't have the free R flag label?
>> I chose " do not use the Free R flag" in the ARP/wARP GUI. Can anyone tell
>> me what's wrong with this?
>>
>>
>> best reagrds!
>> Lu Zuokun
>>
>>
>>
>> --
>> 卢作焜
>> 南开大学新生物站A202
>>
>
>--
>Dr Tim Gruene
>Institut fuer anorganische Chemie
>Tammannstr. 4
>D-37077 Goettingen
>
>GPG Key ID = A46BEE1A
>
