2,684
edits
1Y13: Difference between revisions
→Could we do better?
No edit summary |
|||
| Line 669: | Line 669: | ||
* an [[optimization]] round of running xds for the two datasets | * an [[optimization]] round of running xds for the two datasets | ||
* using a negative offset for STARTING_DOSE in XSCALE.INP, as documented in the [[XSCALE]] wiki article. | * using a negative offset for STARTING_DOSE in XSCALE.INP, as documented in the [[XSCALE]] wiki article. | ||
* use MERGE=TRUE in XDSCONV.INP. I tried it and this gives 20 solutions with CCall+CCweak > 25 out of 1000 trials, whereas MERGE=FALSE (the default) gives only 4 solutions! | * use MERGE=TRUE in XDSCONV.INP. I tried it and this gives 20 solutions with CCall+CCweak > 25 out of 1000 trials, whereas MERGE=FALSE (the default) gives only 4 solutions! Update Sep 2011: the [[ccp4com:SHELX_C/D/E#Obtaining_the_SHELX_programs|beta-test version]] of SHELXC should have a fix for this. | ||
== better phases from DAD (Double Anomalous Dispersion) == | == better phases from DAD (Double Anomalous Dispersion) == | ||