Monday 1 August 2011

Does anyone use xia2-summary.dat?

Just found this:

[gw56@ws050 3]$ cat xia2-summary.dat
Project: AUTOMATIC
Crystal: DEFAULT
Sequence length: 0
Wavelength: WAVE1 (0.97966)
Sweep: SWEEP1
Files /data2/gw56/jcsg/12287_2L/12287_1_E1_###.img
Images: 1 to 60
Beam 105.10 101.05 => 108.95 105.04
Distance 170.00 => 169.89
Date: Sun Sep 26 14:13:49 2004
Wavelength: WAVE2 (1.00000)
Sweep: SWEEP2
Files /data2/gw56/jcsg/12287_2L/12287_1_E2_###.img
Images: 1 to 60
Beam 105.10 101.05 => 108.93 105.04
Distance 170.00 => 170.09
Date: Sun Sep 26 14:17:56 2004
For AUTOMATIC/DEFAULT/WAVE1:
High resolution limit                           1.66    7.41    1.66
Low resolution limit                            36.8    36.8    1.7
Completeness                                    97.9    96.4    85.7
Multiplicity                                    4.3     3.5     2.9
I/sigma                                         16.5    33.9    2.2
Rmerge                                          0.043   0.023   0.372
Anomalous completeness                          94.3    92.4    78.2
Anomalous multiplicity                          2.4     2.3     1.6
For AUTOMATIC/DEFAULT/WAVE2:
High resolution limit                           1.65    7.39    1.65
Low resolution limit                            36.8    36.8    1.7
Completeness                                    96.3    96.4    74.5
Multiplicity                                    4.2     3.5     2.7
I/sigma                                         17.4    35.6    2.2
Rmerge                                          0.04    0.021   0.369
Anomalous completeness                          92.1    94.2    69.9
Anomalous multiplicity                          2.3     2.3     1.5
Cell:  51.570  51.570 157.600  90.000  90.000  90.000
Spacegroup: P 41 21 2


which I remember from a long time ago - just wondering, does anyone use this? Is it worth keeping (as I clear up...)

2 comments:

Sebastiano said...

Don't get rid of it. just my 2 cents. I personally find this info files pretty useful.

Susan Lea said...

Please keep!
Susan