Closed dagewa closed 6 years ago
I remain somewhat confused by these points. I hope it is clear that the first 3 points are well-covered by the manuscript. I am not sure what the 4th refers to. Is there an additional "excitation error" in ED that I am not aware of? The refined RMSDs are given in Table 1, and are all sub-pixel. Does that answer this point? I don't know. The disorder / diffuse scattering issue is not one we have looked at in detail.
@cmaxtb @tgruene Do you have any additional opinion on the above? Thanks, D
The central beam is drifting slightly, but we correct for that. No apparent beam shift, also we do stay continuously within the same settings during data collection and we do not realign intermediately. So there are no errors originating from that, appart from maybe the correct defocus(eucentric height) changing with crystal size and orientation
I have such an image, it’s only not very clear to see the rotation axis there. On the Talos the rotation axis is always the same, regardless of detector distance, it does change but the fei software will adjust the lenses such that it’s always orientated the same way. So you have to determine it once, using something radiation hard and well known. But not all microscopes are the same of course.
Yes, distance and uc are not refined simultaneously, but we can do a lattice refinement in refmac where we minimise the rmsd.
Agree with Tim, also the oscillation width per frame has some uncertainty since it was recorded manually. This also depends on how well the goniometer behaves, if it slips or does not have the same constant rotation speed through all the different angles of the stage.
Don’t have anything addional to comment on diffuse scattering, we did not specifically look for it or encountered anything extraordinary, with beam sensitive material it would be anyhow difficult I guess since eg exposure will affect the crystals strongly and radiation damage would induce defects and diffuse signal, without a stable reference it be hard to quantify any effect
Reply composed directly in the draft letter. Closing the issue.
The points listed are: