Hi all,
<br>I have a tricky molecular replacement case. One protein in two different 
crystal forms: hexagonal with 1 mol/asu, triclinic with 2 mol/asu (based 
on packing and self rotation).
<br>
<br>No experimental phases are available this far, however, there is a 
distant homology model. For the hexagonal crystals, phaser gives a 
solution with really good scores (Z &gt; 9, -LLG &gt; 50) and a good packing. 
While the correct solution is way down the list in the RF, the TF can 
separate it from the bulk of bad solutions. Slight changes in the model 
give the same solution. Maps are somehow ok, however, not good enough to 
enable arpwarp to build the model. It does not totally blow up either.
<br>
<br>For the triclinic crystal form with 2 molecules related by a two-fold 
which is not parallel to a crystal axis, phaser does not find a 
solution. Neither does molrep using the locked rotation function with 
the two-fold extracted by the SRF.
<br>
<br>As the homology between the data set should be higher than between the 
model in the data sets and the search model, I tried a cross rotation 
function between the two data sets. Strong peaks there should give the 
relation between the orientation of the molecule in the hexagonal 
crystal (that I believe I can find). With two rotations known and one 
translation undefined, I&#39;d be left with only one translation that needs 
to be found. Then averaging within P1 or cross crystal might improve the 
density...
<br>
<br>Almn appears to be the only program in ccp4 that can do a cross rotation 
using Fs only, right?? I used the P1 data as hklin, the hexagonal data 
as hklin2. Almn comes back with two strong peaks (see below), however, 
now I am lost:
<br>- the first two peaks appear to be the same
<br>- are the Euler angles the ones I could use in a peak list for eg. Phaser?
<br>- does this procedure make sense at all?
<br>- any other ideas?
<br>
<br>Thanks a lot
<br>Jan
<br>
<font size="1"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">almn.log:
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">##########
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp; Peaks must be greater than&nbsp;&nbsp;&nbsp;&nbsp; 2.00&nbsp; times RMS density&nbsp;&nbsp;&nbsp;&nbsp; 52.2161
</span><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Eulerian angles&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Polar angles
</span><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Alpha&nbsp;&nbsp; Beta&nbsp; Gamma&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Peak&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Omega&nbsp;&nbsp;&nbsp; Phi&nbsp; 
Kappa&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Direction cosines
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">PkNo Symm: 1&nbsp;&nbsp; 2
</span><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;Peak&nbsp;&nbsp; 1
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp;&nbsp; 18.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 92.9&nbsp;&nbsp; 62.6&nbsp; 
143.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.4594&nbsp; 0.8867 -0.0511
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp;&nbsp; 78.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 83.2&nbsp;&nbsp; 32.6&nbsp; 
145.9&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.8364&nbsp; 0.5351&nbsp; 0.1184
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 3&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 138.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 75.6&nbsp;&nbsp;&nbsp; 2.6&nbsp; 
157.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.9674&nbsp; 0.0441&nbsp; 0.2495
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 198.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 71.9&nbsp; 332.6&nbsp; 
174.4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.8439 -0.4373&nbsp; 0.3108
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 258.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 107.2&nbsp; 122.6&nbsp; 
167.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5149&nbsp; 0.8049 -0.2950
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 6&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 318.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 101.7&nbsp;&nbsp; 92.6&nbsp; 
151.7&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.0446&nbsp; 0.9781 -0.2034
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 7&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp;&nbsp; 41.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 161.7&nbsp; 321.1&nbsp; 
175.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2448 -0.1974 -0.9493
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 341.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 20.4&nbsp; 171.1&nbsp; 
128.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.3451&nbsp; 0.0540&nbsp; 0.9370
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp; 9&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 281.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 31.6&nbsp; 
201.1&nbsp;&nbsp; 73.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.4882 -0.1885&nbsp; 0.8521
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp; 10&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 221.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 82.2&nbsp; 
231.1&nbsp;&nbsp; 37.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.6220 -0.7711&nbsp; 0.1363
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp; 11&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 161.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 144.3&nbsp; 
261.1&nbsp;&nbsp; 65.1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.0902 -0.5770 -0.8118
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp; 12&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 101.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 158.6&nbsp; 291.1&nbsp; 
118.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.1317 -0.3411 -0.9307
</span><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;Peak&nbsp;&nbsp; 2
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp;&nbsp; 41.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 161.7&nbsp; 321.1&nbsp; 
175.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2448 -0.1974 -0.9493
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 101.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 158.6&nbsp; 291.1&nbsp; 
118.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.1317 -0.3411 -0.9307
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 3&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 161.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 144.3&nbsp; 
261.1&nbsp;&nbsp; 65.1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.0902 -0.5770 -0.8118
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 221.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 82.2&nbsp; 
231.1&nbsp;&nbsp; 37.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.6220 -0.7711&nbsp; 0.1363
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 281.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 31.6&nbsp; 
201.1&nbsp;&nbsp; 73.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.4882 -0.1885&nbsp; 0.8521
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 6&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 143.7&nbsp;&nbsp; 36.6&nbsp; 341.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 20.4&nbsp; 171.1&nbsp; 
128.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.3451&nbsp; 0.0540&nbsp; 0.9370
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 7&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp;&nbsp; 18.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 92.9&nbsp;&nbsp; 62.6&nbsp; 
143.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.4594&nbsp; 0.8867 -0.0511
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 318.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 101.7&nbsp;&nbsp; 92.6&nbsp; 
151.7&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.0446&nbsp; 0.9781 -0.2034
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp;&nbsp; 9&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 258.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 107.2&nbsp; 122.6&nbsp; 
167.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.5149&nbsp; 0.8049 -0.2950
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp; 10&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 198.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 71.9&nbsp; 332.6&nbsp; 
174.4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.8439 -0.4373&nbsp; 0.3108
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp; 11&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp; 138.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 75.6&nbsp;&nbsp;&nbsp; 2.6&nbsp; 
157.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.9674&nbsp; 0.0441&nbsp; 0.2495
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp; 1&nbsp; 12&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 323.7&nbsp; 143.4&nbsp;&nbsp; 78.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 540.8&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 83.2&nbsp;&nbsp; 32.6&nbsp; 
145.9&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.8364&nbsp; 0.5351&nbsp; 0.1184
</span><br style="font-family: courier new,monospace;"><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;Peak&nbsp;&nbsp; 3
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 3&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 335.2&nbsp;&nbsp; 54.5&nbsp;&nbsp; 36.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 209.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 78.8&nbsp;&nbsp; 
59.3&nbsp;&nbsp; 55.6&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.5006&nbsp; 0.8437&nbsp; 0.1940 ...
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;Peak&nbsp;&nbsp; 4
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 4&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 155.2&nbsp; 125.5&nbsp;&nbsp; 23.5&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 209.2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 62.8&nbsp; 155.8&nbsp; 
179.4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; -0.8112&nbsp; 0.3638&nbsp; 0.4579 ...
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;Peak&nbsp;&nbsp; 5
</span><br style="font-family: courier new,monospace;"><span style="font-family: courier new,monospace;">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 5&nbsp;&nbsp; 1&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 349.3&nbsp;&nbsp; 53.8&nbsp;&nbsp; 13.0&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 176.4&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 87.7&nbsp;&nbsp; 
78.2&nbsp;&nbsp; 53.9&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.2051&nbsp; 0.9779&nbsp; 0.0406 ...
</span></font>






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