Hi, sorry for the non-ccp4 related question. I have one data set that yields peculiar results when I use HKL2000 (or 3000) to integrate it.
Background: I have crystals that index to the I222 sg. I have shot and collected datasets, integrated, molreped and refined many hundreds of these same crystals and know them very well. However, I recently collected data that has the following 'problem' when I integrate: I collected 450 frames at 0.3 width (135 deg) .The Rot. Change vs. Frame window in the HKL program (Integration tab) shows that in the first 150 frames, the x and z deviates +30 and frames 150-450 x and z cross to a negative change and finish at -120. The Y-axis doesn't deviate from 0 the entire time. All other statistics look 'normal' for the integration; mosaicity is a bit high (0.75-1), the Chi sq. hovers near 1 for all frames, and the 'Cell' and 'Distance' vs. frame do not deviate from 0 much at all over all frames. I have played with integration box size, spot size, elongation and background with the same results. Other stats: data set is ~1.60 Ang. resolution; unit cell = 128x140x168 Ang.; Roverall = 4.2% I was curious as to what this phenomena is due to. Any ideas are appreciated.
