<div class="im"><b style="color: rgb(255, 0, 0);"><font size="4">Xtrige log file of P21 </font></b><br></div><div><br><div class="im"><br>The full list of Patterson peaks is: <br><br> x y z height p-value(height)<br>
</div></div><div class="im">( 0.500, 0.500, 0.000 ) : 56.002 (2.915e-05)<br></div>
( 0.483, 0.500, 0.034 ) : 6.152 (6.778e-01)<div class="im"><div><br><br> If the observed pseudo translationals are crystallographic<br> the following spacegroups and unit cells are possible: <br><br> space group operator unit cell of reference setting <br>
</div></div><div class="im">
C 1 2 1 (a-1/4,b-1/4,c) x+1/2, y+1/2, z (186.38, 103.16, 295.88, 90.00, 98.79, 90.00)<br><b style="color: rgb(255, 0, 0);"><font size="4"><br>Xtrige log file of P2</font></b><font size="4"> </font><br></div><div class="im">
<div>
<br>The full list of Patterson peaks is: <br></div></div><div class="im">
The Xtrige log is as follows,</div><div><br><div class="im"> x y z height p-value(height)<br></div></div><div class="im">( 0.500, 0.500, 0.000 ) : 56.000 (2.916e-05)<br></div>( 0.483, 0.500, 0.034 ) : 6.151 (6.781e-01)<div class="im">
<div>
<br><br> If the observed pseudo translationals are crystallographic<br>
the following spacegroups and unit cells are possible: <br><br> space group operator unit cell of reference setting <br></div></div><div class="im"> C 1 2 1 x+1/2, y+1/2, z (186.38, 103.16, 295.88, 90.00, 98.79, 90.00)<br>
<br><br><font size="4"><b><span style="color: rgb(255, 0, 0);">Results from rotation functions for P2 (Search two monomers in ASU)</span></b><br><br></font>******************************</div><div><div class="im">*******************************************************<br>
*** Phaser Module: MOLECULAR REPLACEMENT FAST ROTATION FUNCTION 2.2.4 ***<br>*************************************************************************************<br><br>---------------------<br>ANISOTROPY CORRECTION<br>
---------------------<br><br> No refinement of parameters<br><br>-------------------------------<br>DATA FOR FAST ROTATION FUNCTION<br>-------------------------------<br><br> Outliers with a probability less than 1e-06 will be rejected<br>
There were 2 (0.0000%) reflections rejected<br><br> H K L reso F probability<br> 5 5 62 4.48 42.404 4.049e-07<br> 18 2 -26 8.12 112.092 7.520e-09<br>
<br> Space-Group Name (Number): P 1 2 1 (3)<br> Resolution of All Data (Number): 3.82 49.18 (87989)<br> Resolution of Selected Data (Number): 3.82 49.18 (87985)<br><br>--------------------------<br>ENSEMBLE FOR DECOMPOSITION<br>
--------------------------<br><br></div><div class="im"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br>
Unit Cell: 394.48 295.80 293.03 90.00 90.00 90.00<br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>-------------------<br>WILSON DISTRIBUTION<br>-------------------<br><br>
Parameters set for Wilson log-likelihood calculation<br> E = 0 and variance 1 for each reflection<br> Without correction for SigF to the variances,<br> Wilson log(likelihood) = - number of acentrics (83981)<br>
- half number of centrics (4004/2)<br> = -85983<br> With correction for SigF,<br> Wilson log(likelihood) = -89650.5<br><br><br> Configuring ensembles<br>
---------------------<br></div><div><div><span id="q_12ebbf4b7a6ac20f_20" class="h4"><br></span></div><div class="h5"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br>
Unit Cell: 914.73 520.03 508.93 90.00 90.00 90.00<br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>------------------------------<br>FAST ROTATION FUNCTION #1 OF 1<br>------------------------------<br>
<br> Search Ensemble: 1<br> Known MR solutions<br> (empty solution set - no components)<br><br> Fraction of asymmetric unit modelled: 1.0047<br> of which the "moving" fraction is 1.0047<br><br> Fraction of asymmetric unit modelled (after correction): 0.99<br>
of which the "moving" fraction is 0.99<br><br><br> Spherical Harmonics<br> -------------------<br> Elmn for Data<br> Elmn Calculation for Data<br> 0% 100%<br>
|=========================================================================| DONE<br><br> Elmn for Search Ensemble<br> Elmn Calculation for Search Ensemble<br> 0% 100%<br>
|===========================================================================| DONE<br><br><br> Scanning the Range of Beta Angles<br> ---------------------------------<br> Performing a 1.3513 degree search.<br> Clmn Calculation<br>
0% 100%<br> |====================================================================| DONE<br><br> Top 59 rotations before clustering will be rescored<br>
Calculating Likelihood for RF #1 of 1<br> 0% 100%<br> |============================================================| DONE<br><br> Scoring 500 randomly sampled rotations<br>
Generating Statistics for RF #1 of 1<br> 0% 100%<br> |========================================================================| DONE<br><br> Mean Score (Sigma): -7144.27 (152.138)<br>
Highest Score (Z-score): -2269.9 (32.0392)<br><br><br> Top Peaks With Clustering<br> -------------------------<br> # Rank of the peak after rescoring search points<br> (#) Rank of the peak before rescoring search points<br>
LLG Log-Likelihood Gain<br> Z-Score Number of standard deviations of LLG above the mean<br> FSS Fast Search Score<br><br> You requested peaks over 75% of top (i.e. 0.75*(top-mean)+mean)<br> There was 1 site over 75% of top<br>
The sites over 75% are:<br> # (#) Euler1 Euler2 Euler3 LLG Z-score Split #Group raw/top <br> 1 1 326.1 62.4 83.0 -2269.90 32.04 0.0 23 100.0/100.0<br> 213.9 117.6 263.0</div>
</div><div>
<br>
<br><br><div class="im"><br> Fast Rotation Function Table: 1<br> -------------------------------<br> #SET Top (Z) Second (Z) Third (Z)<br></div></div> 1 -2269.90 32.04 --- --- --- ---<br>
---- ---------- ----- ---------- ----- ---------- -----<br><br>---------------<br>FINAL SELECTION<br>---------------<br><br> Mean used for final selection = -7144.27<br> Cutoff used for final selection = -3488.49<div class="im">
<div>
<br>
Number of sets stored before final selection = 1<br> Number of solutions stored before final selection = 1<br> Number of sets stored (deleted) after final selection = 1 (0)<br> Number of solutions stored (deleted) after final selection = 1 (0)<br>
<br></div></div><div class="im">------------<br><br style="color: rgb(255, 0, 0);"><b><font style="color: rgb(255, 0, 0);" size="4">Results from rotation functions for P2 (Search one monomer in ASU)</font></b><br><br>*************************************************************************************<br>
*** Phaser Module: MOLECULAR REPLACEMENT FAST ROTATION FUNCTION 2.2.4 ***<br>*************************************************************************************<br><br>---------------------<br>ANISOTROPY CORRECTION<br>
---------------------<br><br> No refinement of parameters<br><br>-------------------------------<br>DATA FOR FAST ROTATION FUNCTION<br>-------------------------------<br><br> Outliers with a probability less than 1e-06 will be rejected<br>
There were 2 (0.0000%) reflections rejected<br><br> H K L reso F probability<br> 5 5 62 4.48 42.404 4.049e-07<br> 18 2 -26 8.12 112.092 7.520e-09<br>
<br> Space-Group Name (Number): P 1 2 1 (3)<br> Resolution of All Data (Number): 3.82 49.18 (87989)<br> Resolution of Selected Data (Number): 3.82 49.18 (87985)<br><br>--------------------------<br>ENSEMBLE FOR DECOMPOSITION<br>
--------------------------<br><br></div><div class="im"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br></div>
Unit Cell: 323.84 274.82 261.37 90.00 90.00 90.00<div class="im"><br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>-------------------<br>WILSON DISTRIBUTION<br>-------------------<br>
<br>
Parameters set for Wilson log-likelihood calculation<br> E = 0 and variance 1 for each reflection<br> Without correction for SigF to the variances,<br> Wilson log(likelihood) = - number of acentrics (83981)<br>
- half number of centrics (4004/2)<br> = -85983<br> With correction for SigF,<br> Wilson log(likelihood) = -89650.5<br><br><br> Configuring ensembles<br>
---------------------<br></div><div><div><span id="q_12ebbf4b7a6ac20f_29" class="h4">- ��ʾ�������� -</span></div><div class="h5"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br>
Unit Cell: 714.35 518.29 464.48 90.00 90.00 90.00<br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>------------------------------<br>FAST ROTATION FUNCTION #1 OF 1<br>------------------------------<br>
<br> Search Ensemble: 1<br> Known MR solutions<br> (empty solution set - no components)<br><br> Fraction of asymmetric unit modelled: 0.831924<br> of which the "moving" fraction is 0.831924<br><br>
<br>
Spherical Harmonics<br> -------------------<br> Elmn for Data<br> Elmn Calculation for Data<br> 0% 100%<br> |=========================================================================| DONE<br>
<br> Elmn for Search Ensemble<br> Elmn Calculation for Search Ensemble<br> 0% 100%<br> |===========================================================================| DONE<br>
<br><br> Scanning the Range of Beta Angles<br> ---------------------------------<br> Performing a 1.5476 degree search.<br> Clmn Calculation<br> 0% 100%<br>
|===========================================================| DONE<br><br> Top 41 rotations before clustering will be rescored<br> Calculating Likelihood for RF #1 of 1<br> 0% 100%<br>
|==========================================| DONE<br><br> Scoring 500 randomly sampled rotations<br> Generating Statistics for RF #1 of 1<br> 0% 100%<br>
|========================================================================| DONE<br><br> Mean Score (Sigma): -4412.88 (151.158)<br> Highest Score (Z-score): -893.783 (23.2809)<br><br><br> Top Peaks With Clustering<br>
-------------------------<br> # Rank of the peak after rescoring search points<br> (#) Rank of the peak before rescoring search points<br> LLG Log-Likelihood Gain<br> Z-Score Number of standard deviations of LLG above the mean<br>
FSS Fast Search Score<br><br> You requested peaks over 75% of top (i.e. 0.75*(top-mean)+mean)<br> There was 1 site over 75% of top<br> The sites over 75% are:<br> # (#) Euler1 Euler2 Euler3 LLG Z-score Split #Group raw/top <br>
1 1 70.6 39.1 10.6 -893.78 23.28 0.0 13 100.0/100.0<br> 109.4 140.9 190.6</div></div><div><br><br><br><div class="im"><br> Fast Rotation Function Table: 1<br> -------------------------------<br>
#SET Top (Z) Second (Z) Third (Z)<br></div></div>
1 -893.78 23.28 --- --- --- ---<br> ---- ---------- ----- ---------- ----- ---------- -----<br><br>---------------<br>FINAL SELECTION<br>---------------<br><br> Mean used for final selection = -4412.88<br>
Cutoff used for final selection = -1773.56<div class="im"><div><br> Number of sets stored before final selection = 1<br> Number of solutions stored before final selection = 1<br> Number of sets stored (deleted) after final selection = 1 (0)<br>
Number of solutions stored (deleted) after final selection = 1 (0)<br><br></div></div><div class="im">------------<br><br>
<font size="4"><span style="color: rgb(204, 0, 0);">Results from rotation functions for P21 (Search two monomers in ASU)</span><br>
</font><br>*************************************************************************************<br>*** Phaser Module: MOLECULAR REPLACEMENT FAST ROTATION FUNCTION 2.2.4 ***<br>*************************************************************************************<br>
<br>---------------------<br>ANISOTROPY CORRECTION<br>---------------------<br><br> No refinement of parameters<br><br>-------------------------------<br>DATA FOR FAST ROTATION FUNCTION<br>-------------------------------<br>
<br> Outliers with a probability less than 1e-06 will be rejected<br> There were 2 (0.0000%) reflections rejected<br><br> H K L reso F probability<br> 5 5 62 4.48 42.404 4.046e-07<br>
18 2 -26 8.12 112.092 7.516e-09<br><br> Space-Group Name (Number): P 1 21 1 (4)<br> Resolution of All Data (Number): 3.82 49.18 (87983)<br> Resolution of Selected Data (Number): 3.82 49.18 (87981)<br>
<br>--------------------------<br>ENSEMBLE FOR DECOMPOSITION<br>--------------------------<br><br></div><div class="im"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br>
Unit Cell: 323.83 274.82 261.37 90.00 90.00 90.00<br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>-------------------<br>WILSON DISTRIBUTION<br>-------------------<br><br>
Parameters set for Wilson log-likelihood calculation<br> E = 0 and variance 1 for each reflection<br> Without correction for SigF to the variances,<br> Wilson log(likelihood) = - number of acentrics (83976)<br>
- half number of centrics (4005/2)<br> = -85978<br> With correction for SigF,<br> Wilson log(likelihood) = -89646.3<br><br><br> Configuring ensembles<br>
---------------------<br></div><div class="im"> This pdb file contains 1 models<br> The (input) RmsD of this model with respect to the real structure is 0.8<br></div><div><div><span id="q_12ebbf4b7a6ac20f_37" class="h4"><br>
</span></div><div class="h5">
Unit Cell: 714.35 518.29 464.48 90.00 90.00 90.00<br><br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br><br>------------------------------<br>FAST ROTATION FUNCTION #1 OF 1<br>------------------------------<br>
<br> Search Ensemble: 1<br> Known MR solutions<br> (empty solution set - no components)<br><br> Fraction of asymmetric unit modelled: 0.737308<br> of which the "moving" fraction is 0.737308<br><br>
<br>
Spherical Harmonics<br> -------------------<br> Elmn for Data<br> Elmn Calculation for Data<br> 0% 100%<br> |=========================================================================| DONE<br>
<br> Elmn for Search Ensemble<br> Elmn Calculation for Search Ensemble<br> 0% 100%<br> |===========================================================================| DONE<br>
<br><br> Scanning the Range of Beta Angles<br> ---------------------------------<br> Performing a 1.54708 degree search.<br> Clmn Calculation<br> 0% 100%<br>
|===========================================================| DONE<br><br> Top 47 rotations before clustering will be rescored<br> Calculating Likelihood for RF #1 of 1<br> 0% 100%<br>
|================================================| DONE<br><br> Scoring 500 randomly sampled rotations<br> Generating Statistics for RF #1 of 1<br> 0% 100%<br>
|========================================================================| DONE<br><br> Mean Score (Sigma): -3258.27 (128.907)<br> Highest Score (Z-score): -242.259 (23.3968)<br><br><br> Top Peaks With Clustering<br>
-------------------------<br> # Rank of the peak after rescoring search points<br> (#) Rank of the peak before rescoring search points<br> LLG Log-Likelihood Gain<br> Z-Score Number of standard deviations of LLG above the mean<br>
FSS Fast Search Score<br><br> You requested peaks over 75% of top (i.e. 0.75*(top-mean)+mean)<br> There was 1 site over 75% of top<br> The sites over 75% are:<br> # (#) Euler1 Euler2 Euler3 LLG Z-score Split #Group raw/top <br>
1 1 70.7 39.1 10.6 -242.26 23.40 0.0 18 100.0/100.0<br> 109.3 140.9 190.6</div></div><div><br><br><br><div class="im"><br> Fast Rotation Function Table: 1<br> -------------------------------<br>
#SET Top (Z) Second (Z) Third (Z)<br></div></div>
1 -242.26 23.40 --- --- --- ---<br> ---- ---------- ----- ---------- ----- ---------- -----<br><br>---------------<br>FINAL SELECTION<br>---------------<br><br> Mean used for final selection = -3258.27<br>
Cutoff used for final selection = -996.261<div class="im"><div><br> Number of sets stored before final selection = 1<br> Number of solutions stored before final selection = 1<br> Number of sets stored (deleted) after final selection = 1 (0)<br>
Number of solutions stored (deleted) after final selection = 1 (0)<br><br></div></div><div class="im">------------<br>
<br style="color: rgb(204, 0, 0);">
<font style="color: rgb(204, 0, 0);" size="4">Results from rotation functions for P21 (Search One monomers in ASU)</font><br><br>*************************************************************************************<br>*** Phaser Module: MOLECULAR REPLACEMENT FAST ROTATION FUNCTION 2.2.4 ***<br>
*************************************************************************************<br><br>---------------------<br>ANISOTROPY CORRECTION<br>---------------------<br><br> No refinement of parameters<br><br>-------------------------------<br>
DATA FOR FAST ROTATION FUNCTION<br>-------------------------------<br><br> Outliers with a probability less than 1e-06 will be rejected<br> There were 2 (0.0000%) reflections rejected<br><br> H K L reso F probability<br>
5 5 62 4.48 42.404 4.046e-07<br> 18 2 -26 8.12 112.092 7.516e-09<br><br> Space-Group Name (Number): P 1 21 1 (4)<br> Resolution of All Data (Number): 3.82 49.18 (87983)<br>
Resolution of Selected Data (Number): 3.82 49.18 (87981)<br><br>--------------------------<br>ENSEMBLE FOR DECOMPOSITION<br>--------------------------<br><br></div><div class="im"> This pdb file contains 1 models<br>
The (input) RmsD of this model with respect to the real structure is 0.8<br>
Unit Cell: 323.83 274.82 261.37 90.00 90.00 90.00<br><br> Electron Density Calculation<br>
0% 100%<br> |=======| DONE<br><br>-------------------<br>WILSON DISTRIBUTION<br>-------------------<br><br> Parameters set for Wilson log-likelihood calculation<br> E = 0 and variance 1 for each reflection<br>
Without correction for SigF to the variances,<br> Wilson log(likelihood) = - number of acentrics (83976)<br> - half number of centrics (4005/2)<br> = -85978<br>
With correction for SigF,<br> Wilson log(likelihood) = -89646.3<br><br><br> Configuring ensembles<br> ---------------------<br></div><div class="im"> This pdb file contains 1 models<br>
The (input) RmsD of this model with respect to the real structure is 0.8<br></div><div><div><span id="q_12ebbf4b7a6ac20f_45" class="h4"><br></span></div><div class="h5"> Unit Cell: 714.35 518.29 464.48 90.00 90.00 90.00<br>
<br> Electron Density Calculation<br> 0% 100%<br> |=======| DONE<br>
<br>------------------------------<br>FAST ROTATION FUNCTION #1 OF 1<br>------------------------------<br><br> Search Ensemble: 1<br> Known MR solutions<br> (empty solution set - no components)<br><br> Fraction of asymmetric unit modelled: 0.737308<br>
of which the "moving" fraction is 0.737308<br><br><br> Spherical Harmonics<br> -------------------<br> Elmn for Data<br> Elmn Calculation for Data<br> 0% 100%<br>
|=========================================================================| DONE<br><br> Elmn for Search Ensemble<br> Elmn Calculation for Search Ensemble<br> 0% 100%<br>
|===========================================================================| DONE<br><br><br> Scanning the Range of Beta Angles<br> ---------------------------------<br> Performing a 1.54708 degree search.<br> Clmn Calculation<br>
0% 100%<br> |===========================================================| DONE<br><br> Top 47 rotations before clustering will be rescored<br> Calculating Likelihood for RF #1 of 1<br>
0% 100%<br> |================================================| DONE<br><br> Scoring 500 randomly sampled rotations<br> Generating Statistics for RF #1 of 1<br> 0% 100%<br>
|========================================================================| DONE<br><br> Mean Score (Sigma): -3258.27 (128.907)<br> Highest Score (Z-score): -242.259 (23.3968)<br><br><br> Top Peaks With Clustering<br>
-------------------------<br> # Rank of the peak after rescoring search points<br> (#) Rank of the peak before rescoring search points<br> LLG Log-Likelihood Gain<br> Z-Score Number of standard deviations of LLG above the mean<br>
FSS Fast Search Score<br><br> You requested peaks over 75% of top (i.e. 0.75*(top-mean)+mean)<br> There was 1 site over 75% of top<br> The sites over 75% are:<br> # (#) Euler1 Euler2 Euler3 LLG Z-score Split #Group raw/top <br>
1 1 70.7 39.1 10.6 -242.26 23.40 0.0 18 100.0/100.0<br> 109.3 140.9 190.6</div></div><div><br><br><br><div class="im"><br> Fast Rotation Function Table: 1<br> -------------------------------<br>
#SET Top (Z) Second (Z) Third (Z)<br></div></div>
1 -242.26 23.40 --- --- --- ---<br> ---- ---------- ----- ---------- ----- ---------- -----<br><br>---------------<br>FINAL SELECTION<br>---------------<br><br> Mean used for final selection = -3258.27<br>
Cutoff used for final selection = -996.261<div class="im"><div><br> Number of sets stored before final selection = 1<br> Number of solutions stored before final selection = 1<br> Number of sets stored (deleted) after final selection = 1 (0)<br>
Number of solutions stored (deleted) after final selection = 1 (0)<br><br></div></div>------------<br><br><br><br><b><font size="4">Thanks a lot.<br><br>Yu<br></font></b></div><br><br><div class="gmail_quote">2011/3/15 Francis E Reyes <span dir="ltr"><<a href="mailto:Francis.Reyes@colorado.edu">Francis.Reyes@colorado.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Go back to your xtriage log file... Post the section that looks similar to the one below...<br>
<br>
The full list of Patterson peaks is:<br>
<br>
x y z height p-value(height)<br>
( 0.500, 0.000, 0.233 ) : 26.198 (2.753e-03)<br>
( 0.000, 0.338, 0.000 ) : 5.699 (7.800e-01)<br>
<br>
If the observed pseudo translationals are crystallographic<br>
the following spacegroups and unit cells are possible:<br>
<br>
space group operator unit cell of reference setting<br>
C 2 2 21 (-a,c,2*b) x+1/2, y, z+1/4 (55.47, 73.64, 81.46, 90.00, 90.00, 90.00)<br>
<br>
<br>
<br>
Systematic absences<br>
<br>
<br>
Also, post the results of the rotation function.. What is the RFZ score and how did it compare to any other rotation solutions.<br><font color="#888888">
<br>
<br>
F</font><div><div></div><div class="h5"><br>
<br>
<br>
<br>
On Mar 15, 2011, at 1:13 PM, Zhang yu wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
It indicates that pseudo translational symmetry is present in the dataset. I didn't do anything when I first try MR. Is that possible I merged two lattice together during data process, or should I reprocess the data to P1?<br>
<br>
I attached the scale log file,<br>
<br>
Shell Lower Upper Average Average Norm. Linear Square<br>
limit Angstrom I error stat. Chi**2 R-fac R-fac<br>
50.00 10.29 1030.9 76.3 20.0 1.095 0.105 0.118<br>
10.29 8.18 791.3 52.2 18.1 1.108 0.093 0.101<br>
8.18 7.15 350.8 23.5 11.3 1.160 0.108 0.106<br>
7.15 6.49 195.8 17.1 11.4 1.090 0.138 0.131<br>
6.49 6.03 143.7 15.7 12.1 1.029 0.167 0.154<br>
6.03 5.67 130.8 15.6 13.2 1.101 0.187 0.173<br>
5.67 5.39 129.9 16.8 14.6 1.074 0.198 0.184<br>
5.39 5.16 136.0 17.9 15.6 1.078 0.202 0.186<br>
5.16 4.96 138.3 19.2 16.8 1.044 0.207 0.192<br>
4.96 4.79 150.9 20.7 18.0 1.082 0.209 0.191<br>
4.79 4.64 151.3 21.1 18.8 1.140 0.225 0.210<br>
4.64 4.50 143.1 22.4 20.3 1.070 0.236 0.226<br>
4.50 4.39 127.5 22.5 21.1 1.027 0.262 0.251<br>
4.39 4.28 117.7 22.8 22.3 1.051 0.291 0.279<br>
4.28 4.18 105.8 24.2 23.7 0.988 0.322 0.317<br>
4.18 4.09 93.0 25.0 24.9 0.947 0.365 0.371<br>
4.09 4.01 84.9 25.3 25.2 0.884 0.409 0.403<br>
4.01 3.94 76.6 27.4 27.3 0.843 0.457 0.490<br>
3.94 3.87 66.5 27.5 27.5 0.778 0.505 0.559<br>
3.87 3.80 59.3 28.9 28.8 0.766 0.575 0.696<br>
All reflections 222.9 26.7 19.5 1.037 0.165 0.128<br>
<br>
<br>
<br>
<br>
2011/3/15 Francis E Reyes <<a href="mailto:Francis.Reyes@colorado.edu" target="_blank">Francis.Reyes@colorado.edu</a>><br>
This is probably the most revealing to me.. What did you do about this when you did the MR?<br>
<br>
<br>
On Mar 15, 2011, at 9:45 AM, Zhang yu wrote:<br>
<br>
The analyses of the Patterson function reveals a significant off-origin<br>
peak that is 56.00 % of the origin peak, indicating pseudo translational symmetry.<br>
<br>
---------------------------------------------<br>
Francis E. Reyes M.Sc.<br>
215 UCB<br>
University of Colorado at Boulder<br>
<br>
gpg --keyserver <a href="http://pgp.mit.edu" target="_blank">pgp.mit.edu</a> --recv-keys 67BA8D5D<br>
<br>
8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D<br>
<br>
<br>
<br>
<br>
<br>
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---------------------------------------------<br>
Francis E. Reyes M.Sc.<br>
215 UCB<br>
University of Colorado at Boulder<br>
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