New logs in the LogFiles directory; more image= options

If you look in LogFiles and you use xia2 -dials you will find some new stuff in there:

Graemes-MacBook-Pro-2:image_range graeme$ ls LogFiles/

AUTOMATIC_DEFAULT_NATIVE_truncate.log AUTOMATIC_DEFAULT_pointless.log

AUTOMATIC_DEFAULT_aimless.log SWEEP1_INDEX.log

AUTOMATIC_DEFAULT_aimless_xml.xml SWEEP1_LATTICE.log

This now includes the indexing log file and the lattice determination one; these can be useful to see how xia2 made it's decisions.

Also, if you want to combine some data from several sweeps, but only use limited image ranges, you can with:

xia2 unify_setting=true -atom Ti -small_molecule -dials image=/Users/graeme/data/i04-KTP/1/KTP_1_0001.cbf:1:100 image=/Users/graeme/data/i04-KTP/2/KTP_2_0001.cbf:1:100

so this will use the first 100 images of two sweeps and will make this xinfo file:

BEGIN PROJECT AUTOMATIC

BEGIN CRYSTAL DEFAULT

BEGIN HA_INFO

ATOM ti

!NUMBER_PER_MONOMER N

!NUMBER_TOTAL M

END HA_INFO

BEGIN WAVELENGTH SAD

WAVELENGTH 0.729320

END WAVELENGTH SAD

BEGIN SWEEP SWEEP1

WAVELENGTH SAD

DIRECTORY /Users/graeme/data/i04-KTP/1

IMAGE KTP_1_0001.cbf

START_END 1 100

END SWEEP SWEEP1

BEGIN SWEEP SWEEP2

WAVELENGTH SAD

DIRECTORY /Users/graeme/data/i04-KTP/2

IMAGE KTP_2_0001.cbf

START_END 1 100

END SWEEP SWEEP2

END CRYSTAL DEFAULT

END PROJECT AUTOMATIC

Word of warning though that this will currently (as of noon today) only cope with one subset per sweep; should be easy enough to add multiple image ranges for this though need to think what syntax to use... as always feedback welcome to xia2.support@gmail.com; to get this you will need to pull a new DIALS nightly build later today or tomorrow.