Re: [ccp4bb] To bathe or not to bathe.

2007-11-27 Thread Richard Gillilan
Oops, sorry. The x axis of the previous plot is actually not resolution, but Q. My bad. Richard On Nov 27, 2007, at 11:26 AM, Richard Gillilan wrote: Just a couple small images that may be of interest. The x scale is resolution in Angstroms, the y scale is intensity (arbitrary units). I

Re: [ccp4bb] To bathe or not to bathe.

2007-11-27 Thread Nave, C (Colin)
:40 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] To bathe or not to bathe. Oops, sorry. The x axis of the previous plot is actually not resolution, but Q. My bad. Richard On Nov 27, 2007, at 11:26 AM, Richard Gillilan wrote: Just a couple small images that may be of interest. The x scale

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
, though it can be done if the set up is sufficiently flexible. Colin -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Robert Sweet Sent: 26 November 2007 00:28 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] To bathe or not to bathe. Thanks, Ron, Regarding

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
I just noticed this thread. I should make a few comments. We regularly provide microbeam with and without Helium here at MacCHESS. Yes, there are cases in which microbeam can give you good diffraction on large crystals when a larger beam cannot. Just last week we had a user group

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Juergen Bosch
Richard Gillilan wrote: I am currently working on guidelines for when helium and microbeam are necessary (based on both simulations and explicit measurements). At the present time, my feeling is that crystals below 50 micron can certainly make the extra hassle worthwhile. It really

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] To bathe or not to bathe. I just noticed this thread. I should make a few comments. We regularly provide microbeam with and without Helium here at MacCHESS. Yes, there are cases in which microbeam can give you good diffraction on large crystals when

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
Hi Juergen, the original calculation was done with I/SIG's from scala. Yes, I am aware of the problems obtaining reliable and meaningful I/SIG with CCD data. I have gone through the exercise of trying to get agreement between scala and scalepack by optimizing error model parameters ...

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Richard Gillilan
In our current helium box, there is a total of about 28 mm of beam exposed. 10 mm from the aperture of the optic and 18 mm from sample to beamstop. The 10 mm side working distance is very tight for hand mounting (little room for tongs) and falls just outside the shield stream for cryo.

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Jacob Keller
] *** - Original Message - From: Richard Gillilan [EMAIL PROTECTED] To: CCP4BB@JISCMAIL.AC.UK Sent: Monday, November 26, 2007 12:02 PM Subject: Re: [ccp4bb] To bathe or not to bathe. In our current helium box, there is a total of about 28 mm of beam

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Sanishvili, Ruslan
Folks, As expected, discussion about to bathe or not to bathe are starting to expand into other aspects of data collection and processing. Along the way I saw reference to how we use our small beams on GM/CA beamlines in sector 23 of APS. Without going into discussions of advantages and

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread bas
- Original Message - From: Nave, C (Colin) [EMAIL PROTECTED] Several have raised the issue of radiation damage. The strategy which Bob mentions can make sense, ensuring fresh parts of the crystal are regularly brought in to the beam. I would have thought 5-10 micron beams were rather

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread James Holton
Manjasetty, Babu wrote: Hi there, 1. See attached for life-time of crystals (How long will my crystal lost?) at various beamlines in the world. 2. The citations for the beauty and quality of the datasets from bending magnet beamlines. Please read most of the papers from Dauter group.

Re: [ccp4bb] To bathe or not to bathe.

2007-11-25 Thread Ronald E Stenkamp
Just a few comments on consider a crystal bathed in a uniform beam. I've not fully bought into the idea that it's OK to have the beam smaller than the crystal. I learned most of my crystallography in a lab dedicated to precise structure determinations, and somewhere along the line, I picked up

Re: [ccp4bb] To bathe or not to bathe.

2007-11-25 Thread Jon Wright
It'd be interesting to determine the validity of the assumption that absorption is simply a function of frame number. ... and direction. See, eg: Acta Cryst. (1995). A51, 33-38[ doi:10.1107/S0108767394005726 ] An empirical correction for absorption anisotropy R. H. Blessing Best, Jon

Re: [ccp4bb] To bathe or not to bathe.

2007-11-25 Thread Robert Sweet
Thanks, Ron, Regarding the bathing question, these days the major source of error we find in synchrotron-based data is crystal damage. Several groups, notably the two ID23s (one each of pairs of matched canted undulators at ESRF and APS) are producing small x-ray beams, on the order of 5-10

Re: [ccp4bb] To bathe or not to bathe.

2007-11-25 Thread Ethan A Merritt
On Sunday 25 November 2007 14:43, Ronald E Stenkamp wrote: Just a few comments on consider a crystal bathed in a uniform beam. Anyway, I thought the reason people went to smaller beams was that it made it possible to resolve the spots on the film or detector. Isn't that the main reason for

Re: [ccp4bb] To bathe or not to bathe.

2007-11-25 Thread Thomas Earnest
This is true, but if we really took the air-scatter argument seriously we would go back to the days of huge Helium-filled enclosures to get rid of the air scatter. Some beamlines currently do direct He outflow from the collimator toward the crystal, which reduces air scatter by the indident

Re: [ccp4bb] To bathe or not to bathe.

2007-11-24 Thread harry powell
Sent: Friday, November 23, 2007 4:08 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] To bathe or not to bathe. Jorge, You said, I remember one former good (small molecule ?) crystallography book with words a kind of this the crystals should be completely bathed by the x-ray beam during

Re: [ccp4bb] To bathe or not to bathe.

2007-11-24 Thread Juergen Bosch
One additional point to add not raised by Bob is that crystals are different. So you can shoot at one end of the crystal and say have a mosaicity of 0.2 degrees but somewhere else it might be 1.4 or even worse. In such cases e.g. rod like needles it pays off to have a smaller than crystal beam

Re: [ccp4bb] To bathe or not to bathe.

2007-11-23 Thread Santarsiero, Bernard D.
by extrapolating back to zero dose in those days. Jim -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Robert Sweet Sent: Friday, November 23, 2007 4:08 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] To bathe or not to bathe. Jorge, You said, I

Re: [ccp4bb] To bathe or not to bathe.

2007-11-23 Thread Jim Pflugrath
board [mailto:[EMAIL PROTECTED] On Behalf Of Robert Sweet Sent: Friday, November 23, 2007 4:08 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] To bathe or not to bathe. Jorge, You said, I remember one former good (small molecule ?) crystallography book with words a kind of this the crystals