Why do you think you are rejecting anomalous data? What do the normal 
tell-tales reveal, like anom CC?

JPK

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Jacob Pearson Keller
Research Scientist / Looger Lab
HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
Desk: (571)209-4000 x3159
Cell: (301)592-7004
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-----Original Message-----
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of L. Doyle
Sent: Monday, August 26, 2019 6:45 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] SeMet data

I have some Seleno-Methionine protein crystals (12 SeMet of 211 amino acids, 
incorporation verified by Mass Spec). I've already collected several datasets 
(ALS BL5.0.2) but I seem to be losing (rejecting?) a lot of anomalous signal 
during data processing. I'm most familiar with HKL2000, but I have tried XDS 
and DIALS auto-processing. Here is a scan: 
https://urldefense.proofpoint.com/v2/url?u=https-3A__ibb.co_LZqm33p&d=DwIFaQ&c=LU6cRtx0xgB8s29tIz9Olw&r=eLCg9eJ4Rs_LnxfUWsp7FSxhIEcZYmTSU4Uyq1bRYPI&m=IY2dWiiG1i1JgjTXPAPNw3-KHrUr53w37DPc7mNTmQk&s=eA1o_iIowAlvk0KtH7k81LUBeSWfBfCsL7yvZK7KWvM&e=
  and here is an example of a frame: 
https://urldefense.proofpoint.com/v2/url?u=https-3A__ibb.co_gR3ZR47&d=DwIFaQ&c=LU6cRtx0xgB8s29tIz9Olw&r=eLCg9eJ4Rs_LnxfUWsp7FSxhIEcZYmTSU4Uyq1bRYPI&m=IY2dWiiG1i1JgjTXPAPNw3-KHrUr53w37DPc7mNTmQk&s=0Vn8zTPkITbHZuSG2lgAXAZZ5rpwTmNDfRvUjYPvYXs&e=
 . Each frame is 0.25° and I'm using inverse beam with wedge size 1°. Maybe I 
need to adjust my collection strategy? All previous datasets have been in space 
group P 21 with dimensions of approx. 24.5Å, 85Å, 40Å, 90°, 96.5°, 90°. I'm 
sure there are additional things I can be doing in HKL but I've run out of 
ideas. Any advice or recommendations would be appreciated. Please let me know 
if you need additional information. 

Thank you,
Lindsey

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