The average redundancy is defined as:
Reflection count before merging / count after merging
So assuming the numbers in the first table are the counts after
merging, and the number of reflections with redundancy M in one of the
table cells is N(M), then for a given shell (or for all reflections):
merged count = Sum(M) N(M)
unmerged count = Sum(M) M*N(M)
and the average redundancy is the ratio as defined above.
In cases where a range of redundancies are lumped together (e.g. 5-6,
7-8 etc) you'll have to assume an average redundancy for those columns
(e.g. 5.5, 7.5 etc).
Having said all that I'm surprised that the program doesn't work it out for you!
-- Ian
On Sat, Jan 15, 2011 at 9:35 AM, Hussain Bhukyagps <[email protected]> wrote:
> Dear all,
>
> Can any one tell me how to calculate redundancies per shell for the given
> data set here below
>
> Shell Summary of observation redundancies by shells:
> Lower Upper No. of reflections with given No. of observations
> limit limit 0 1 2 3 4 5-6 7-8 9-12
> 13-19 >19 total
> 20.00 5.98 115 583 1259 1893 1927 2186 376 23 0 0
> 8247
> 5.98 4.77 110 504 1270 1851 1887 2278 436 28 0 0
> 8254
> 4.77 4.17 103 521 1232 1768 1916 2329 417 20 0 0
> 8203
> 4.17 3.79 115 585 1331 1941 1911 2075 377 24 0 0
> 8244
> 3.79 3.52 101 509 1241 2040 1840 2149 399 25 0 0
> 8203
> 3.52 3.32 119 571 1248 1890 2049 2144 347 18 0 0
> 8267
> 3.32 3.15 146 591 1296 1891 1889 2096 397 29 0 0
> 8189
> 3.15 3.02 174 617 1339 1945 1893 2038 337 16 0 0
> 8185
> 3.02 2.90 154 667 1483 1931 1793 1935 340 17 0 0
> 8166
> 2.90 2.80 207 772 1492 2086 1831 1718 242 13 0 0
> 8154
> All hkl 1344 5920 13191 19236 18936 20948 3668 213 0 0
> 82112
>
>
>
> Shell Summary of observation redundancies:
> Lower Upper % of reflections with given No. of observations
> limit limit 0 1 2 3 4 5-6 7-8 9-12
> 13-19 >19 total
> 20.00 5.98 1.4 7.0 15.1 22.6 23.0 26.1 4.5 0.3 0.0 0.0
> 98.6
> 5.98 4.77 1.3 6.0 15.2 22.1 22.6 27.2 5.2 0.3 0.0 0.0
> 98.7
> 4.77 4.17 1.2 6.3 14.8 21.3 23.1 28.0 5.0 0.2 0.0 0.0
> 98.8
> 4.17 3.79 1.4 7.0 15.9 23.2 22.9 24.8 4.5 0.3 0.0 0.0
> 98.6
> 3.79 3.52 1.2 6.1 14.9 24.6 22.2 25.9 4.8 0.3 0.0 0.0
> 98.8
> 3.52 3.32 1.4 6.8 14.9 22.5 24.4 25.6 4.1 0.2 0.0 0.0
> 98.6
> 3.32 3.15 1.8 7.1 15.5 22.7 22.7 25.1 4.8 0.3 0.0 0.0
> 98.2
> 3.15 3.02 2.1 7.4 16.0 23.3 22.6 24.4 4.0 0.2 0.0 0.0
> 97.9
> 3.02 2.90 1.9 8.0 17.8 23.2 21.6 23.3 4.1 0.2 0.0 0.0
> 98.1
> 2.90 2.80 2.5 9.2 17.8 24.9 21.9 20.5 2.9 0.2 0.0 0.0
> 97.5
> All hkl 1.6 7.1 15.8 23.0 22.7 25.1 4.4 0.3 0.0 0.0
> 98.4
>
>
> Thank you,
>
> Regards,
> Hussain
>
>
>
