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 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 > > <!--SUMMARY_END--></FONT></B> > $TABLE: L test for twinning: > $GRAPHS: cumulative distribution function for |L|:0|1x0|1:1,2,3,4: > $$ |L| Observed Expected_untwinned Expected_twinned $$ > $$ > 0.000000 0.000000 0.000000 0.000000 > 0.050000 0.054127 0.050000 0.074938 > 0.100000 0.101795 0.100000 0.149500 > 0.150000 0.148706 0.150000 0.223312 > 0.200000 0.196638 0.200000 0.296000 > 0.250000 0.244675 0.250000 0.367188 > 0.300000 0.293074 0.300000 0.436500 > 0.350000 0.342463 0.350000 0.503563 > 0.400000 0.390543 0.400000 0.568000 > 0.450000 0.440510 0.450000 0.629437 > 0.500000 0.489954 0.500000 0.687500 > 0.550000 0.541145 0.550000 0.741812 > 0.600000 0.592157 0.600000 0.792000 > 0.650000 0.643445 0.650000 0.837688 > 0.700000 0.695155 0.700000 0.878500 > 0.750000 0.747505 0.750000 0.914062 > 0.800000 0.802393 0.800000 0.944000 > 0.850000 0.856546 0.850000 0.967938 > 0.900000 0.909764 0.900000 0.985500 > 0.950000 0.961975 0.950000 0.996313 > 1.000000 1.000000 1.000000 1.000000 > $$ > 在 2011年10月13日 下午11:42，Xiaopeng Hu<huxp...@mail.sysu.edu.cn>写道： > >> 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 twinning...) >> >> >> Xiaopeng >> >
