This Ltest certainly doesnt look twinned.
But your R factors are indictive of "mostly correct but still problems".
Didnt someone suggest running Arp-Warp to rebuild the structure?
This might reinterpret any dodgy bits.
Eleanor
On 10/14/2011 02:52 AM, 王瑞 wrote:
> After L-test,the result are fol
After L-test,the result are follows:
TWINNING ANALYSIS:
First principles calculation of potential twinning operators using code by
Andrey Lebedev:
First principles calculation has found 0 potential twinning operators
No twinning detected
$TABLE: L test for twinning:
$GRAPHS: cumulative distribu
Dear Yuri,
Could you give out the details? Such as how you found the twins?
2-Could have twinning? I recently just got done working on a structure that
could be scaled in C 2 2 21 but turned out to really be an almost perfect P21
twin.
(of course in monoclinic there are certain conditions for tw
Similar to Tim's suggestion, but your low resolution limit may be too
low (check refmac's chart of R vs resolution to confirm this).
Pete
王瑞 wrote:
hello everyone:
Excuse me, could anyone give me some suggestions? Afetr several cycles of
refmac, it give me such a result:
Echoing whats been said:
1- Are you sure your crystal really is in C 2 2 21? If so How good is your data
(completeness, Rmerge, etc...)
2-Could have twinning? I recently just got done working on a structure that
could be scaled in C 2 2 21 but turned out to really be an almost perfect P21
twin.
On 10/13/2011 12:14 PM, 王瑞 wrote:
hello everyone:
Excuse me, could anyone give me some suggestions? Afetr several cycles
of refmac, it give me such a result:
InitialFinal
R factor0.2540 0.2531
R f
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Dear ,
- - how complete is your model compared to the sequence expected in the
crystal? If it is not very complete, yet, your R-values might diverge
- - Your RMS BondAngle is pretty high. Set the matrix weight manually to a
lower number (0.1 or less)
Possibility of twinning? A simple way to check this at this point is to turn
on the twin option in refmac and examine the log file. Twinning can cause
you to get stuck at high R values in unaccounted for.
Roger Rowlett
On Oct 13, 2011 7:14 AM, "王瑞" wrote:
> hello everyone:
>
> Excuse me, cou
hello everyone:
Excuse me, could anyone give me some suggestions? Afetr several cycles
of refmac, it give me such a result:
InitialFinal
R factor0.2540 0.2531
R free0.3499 0.3500
Rms BondLeng
