Dear Chen, you should only exclude resolution ranges when you actually have ice-ring contamination in your data: did you decide on that by hand or is it based in your case on some automatic analysis? If you have this situation then the completeness will indeed go down - after all, there are possible reflections that you didn't observe (since you excluded the resolution ranges these reflections they occur in).
If you are worried about this, you could e.g. try the automatic detection and treatment of ice-rings during processing in e.g. autoPROC (see [1] and [2]): it will only exclude ice-ring resolution ranges that are detected and it will use an excluded resolution range as narrow as possible/necessary to avoid rejecting otherwise good data when processing data in XDS. Cheers Clemens [1] www.globalphasing.com/autoproc/ [2] www.globalphasing.com/autoproc/manual/autoPROC7.html#step1_spotnohkl On Fri, Jul 20, 2018 at 10:49:48AM -0400, CPMAS Chen wrote: > Hi, All CCP4 users, > > This might be a little off-topic, but I cannot find a mail list for XDS. > During XDS processing, we can exclude the resolution range to "remove" ice > ring. > In my case, when I excluded these range, the completeness at this range > will be much lower, ~45%. > N 1/d^2 Dmid Nmeas Nref Ncent %poss C%poss Mlplct AnoCmp > AnoFrc AnoMlt $$ $$ > 16 0.0582 4.15 25565 4013 54 95.2 98.9 6.4 > 94.6 99.2 3.2 > 17 0.0619 4.02 26217 4167 54 95.6 98.6 6.3 > 94.7 99.0 3.2 > 18 0.0657 3.90 11393 1973 23 44.4 94.2 5.8 > 41.2 92.5 3.1 > 19 0.0694 3.79 31643 4556 60 99.0 94.6 6.9 > 98.7 99.7 3.5 > 20 0.0732 3.70 14014 2149 30 45.4 90.9 6.5 > 43.7 96.1 3.4 > 21 0.0769 3.61 29456 4242 57 87.5 90.7 6.9 > 86.1 98.4 3.5 > 22 0.0807 3.52 35722 4940 61 99.3 91.3 7.2 > 99.2 99.8 3.6 > > If I included these resolution range, the completeness is more than 90%. > However, when look at the Mn(I/sd), it does not follow Willson law at high > resolution. > Is there a compromise to just exclude partial of these region? > > Thanks! > N 1/d^2 Dmid Rmrg Rfull Rcum Rmeas Rpim Nmeas AvI > RMSdev sd I/RMS Mn(I/sd) FrcBias Chi^2 Chi^2c $$ $$ > 1 0.0017 24.37 0.037 0.037 0.037 0.043 0.022 4236 1235 > 112 65 11.0 42.7 - 1.30 0.97 > 2 0.0050 14.07 0.041 0.041 0.038 0.047 0.024 8627 389 > 32 24 12.1 37.3 - 0.99 0.98 > 3 0.0084 10.90 0.040 0.040 0.039 0.046 0.023 11346 438 > 37 26 11.7 37.3 - 0.97 0.96 > 4 0.0118 9.21 0.044 0.044 0.040 0.051 0.026 13482 275 > 24 18 11.3 33.1 - 0.95 0.94 > 5 0.0151 8.12 0.051 0.051 0.041 0.061 0.034 11303 148 > 15 12 10.1 23.1 - 0.93 0.88 > 6 0.0185 7.35 0.070 0.070 0.043 0.084 0.045 14124 84 > 10 9 8.3 18.7 - 0.93 0.93 > 7 0.0219 6.76 0.086 0.086 0.045 0.102 0.054 15700 65 > 9 8 7.1 15.9 - 0.98 0.97 > 8 0.0252 6.29 0.100 0.100 0.047 0.118 0.062 17497 54 > 8 8 6.4 14.3 - 0.96 0.96 > 9 0.0286 5.91 0.106 0.106 0.050 0.124 0.065 18961 54 > 9 8 6.1 14.0 - 0.95 0.94 > 10 0.0320 5.59 0.113 0.113 0.053 0.133 0.068 20406 52 > 9 9 5.8 13.5 - 0.95 0.95 > 11 0.0353 5.32 0.119 0.119 0.056 0.138 0.071 21836 53 > 10 9 5.5 13.2 - 0.98 0.98 > 12 0.0387 5.08 0.111 0.111 0.059 0.129 0.067 22914 64 > 11 10 5.9 14.2 - 1.01 1.00 > 13 0.0421 4.87 0.117 0.117 0.062 0.137 0.070 23980 63 > 11 10 5.6 13.6 - 1.02 1.01 > 14 0.0454 4.69 0.127 0.127 0.065 0.149 0.076 24916 61 > 12 11 5.2 12.8 - 1.02 1.01 > 15 0.0488 4.53 0.162 0.162 0.069 0.189 0.097 26030 47 > 11 11 4.1 10.5 - 1.01 1.01 > 16 0.0522 4.38 0.202 0.202 0.073 0.235 0.120 26790 38 > 12 11 3.3 8.9 - 0.99 0.99 > 17 0.0555 4.24 0.261 0.261 0.078 0.306 0.158 26547 30 > 12 11 2.6 7.1 - 1.01 1.01 > 18 0.0589 4.12 0.316 0.316 0.081 0.387 0.220 21957 24 > 12 11 2.0 5.2 - 1.00 0.96 > 19 0.0623 4.01 0.498 0.498 0.086 0.602 0.333 24279 16 > 13 12 1.3 3.7 - 1.01 0.98 > 20 0.0656 3.90 0.588 0.588 0.094 0.718 0.404 25888 21 > 33 13 0.6 3.9 - 3.12 1.24 > 21 0.0690 3.81 0.822 0.822 0.101 0.974 0.515 28128 12 > 15 14 0.8 2.7 - 1.03 1.00 > 22 0.0724 3.72 1.140 1.140 0.109 1.347 0.709 29583 9 > 18 15 0.5 2.0 - 1.25 1.01 > 23 0.0757 3.63 0.819 0.819 0.118 0.989 0.543 30705 18 > 58 16 0.3 2.2 - 1.81 1.09 > 24 0.0791 3.56 1.643 1.643 0.128 1.926 0.995 31626 7 > 18 16 0.4 1.5 - 1.03 1.00 > 25 0.0825 3.48 2.505 2.505 0.139 2.946 1.534 32327 5 > 23 17 0.2 1.0 - 1.33 1.06 > 26 0.0858 3.41 1.601 1.601 0.151 1.925 1.051 32349 10 > 52 18 0.2 1.4 - 2.72 1.17 > > -- > > *************************************************** > > Charles Chen > > Research Instructor > > University of Pittsburgh School of Medicine > > Department of Anesthesiology > > ****************************************************** > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- *-------------------------------------------------------------- * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Park * Cambridge CB3 0AX, UK www.globalphasing.com *-------------------------------------------------------------- ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
