You can get a negative Rmeas in a shell where <I> is negative Sent from my iPhone
> On 1 Jul 2021, at 14:21, Winter, Graeme (DLSLtd,RAL,LSCI) > <[email protected]> wrote: > > Thanks for sending the logs > > Looking at the output the negative R values don’t come from xia2 directly > > For AUTOMATIC/DEFAULT/NATIVE Overall Low High > High resolution limit 1.01 2.74 1.01 > Low resolution limit 36.95 36.97 1.03 > Completeness 68.6 72.2 16.3 > Multiplicity 3.4 4.0 1.1 > I/sigma 6.8 11.0 0.6 > Rmerge(I) 0.127 0.131 1.543 > Rmerge(I+/-) 0.121 0.127 1.173 > Rmeas(I) 0.141 0.147 2.162 > Rmeas(I+/-) 0.145 0.151 1.659 > Rpim(I) 0.059 0.062 1.512 > Rpim(I+/-) 0.078 0.079 1.173 > CC half 0.985 0.971 0.149 > Wilson B factor 11.910 > Anomalous completeness 45.7 57.6 1.8 > Anomalous multiplicity 2.1 2.5 1.0 > Anomalous correlation -0.106 -0.135 0.000 > Anomalous slope 0.921 > dF/F 0.079 > dI/s(dI) 0.699 > Total observations 143283 9600 559 > Total unique 41851 2397 494 > Assuming spacegroup: P 41 21 2 > Other likely alternatives are: > P 43 21 2 > Unit cell: > 78.580 78.580 36.950 > 90.000 90.000 90.000 > > While a 1990’s reviewer would have a hard time with those merging stats, I > have seen worse and they seem internally consistent > > I wonder, is ccp4i2 doing something itself which arrives at those numbers? > > i2 devs - thoughts? > > Thanks Graeme > >>> On 1 Jul 2021, at 05:49, Winter, Graeme (DLSLtd,RAL,LSCI) >>> <[email protected]> wrote: >>> >>> Something odd happening there - please could you send the text log off >>> list? i.e. xia2.txt >>> >>> Thanks Graeme >>> >>> On 1 Jul 2021, at 00:58, Murpholino Peligro <[email protected]> wrote: >>> >>> Why Rmeas is negative in DIALS output? >>> >>> >>> Thanks >>> >>> >>> To unsubscribe from the CCP4BB list, click the following link: >>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >>> >>> <Screenshot from 2021-06-30 18-46-10.png> >> >> >> -- >> >> This e-mail and any attachments may contain confidential, copyright and or >> privileged material, and are for the use of the intended addressee only. If >> you are not the intended addressee or an authorised recipient of the >> addressee please notify us of receipt by returning the e-mail and do not >> use, copy, retain, distribute or disclose the information in or attached to >> the e-mail. >> Any opinions expressed within this e-mail are those of the individual and >> not necessarily of Diamond Light Source Ltd. >> Diamond Light Source Ltd. cannot guarantee that this e-mail or any >> attachments are free from viruses and we cannot accept liability for any >> damage which you may sustain as a result of software viruses which may be >> transmitted in or with the message. >> Diamond Light Source Limited (company no. 4375679). Registered in England >> and Wales with its registered office at Diamond House, Harwell Science and >> Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom >> >> >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> > > > > -- > > This e-mail and any attachments may contain confidential, copyright and or > privileged material, and are for the use of the intended addressee only. If > you are not the intended addressee or an authorised recipient of the > addressee please notify us of receipt by returning the e-mail and do not use, > copy, retain, distribute or disclose the information in or attached to the > e-mail. > Any opinions expressed within this e-mail are those of the individual and not > necessarily of Diamond Light Source Ltd. > Diamond Light Source Ltd. cannot guarantee that this e-mail or any > attachments are free from viruses and we cannot accept liability for any > damage which you may sustain as a result of software viruses which may be > transmitted in or with the message. > Diamond Light Source Limited (company no. 4375679). Registered in England and > Wales with its registered office at Diamond House, Harwell Science and > Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
