<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><span style="color: rgb(255, 0, 0);">i am new user<br><br>first Q??</span><br>with HKL2000 (with scale anomalous option: ON)<br><br>the output.sca file is like that (for example):<br> 1<br> -985<br> 38.064 89.066 51.543 90.000 100.446 90.000 p21 <br> 0 0 2 3433.6 77.1<br> 0 0 3 735.6 14.0<br> 0 0 11 1564.7 25.4<br> 0 0 12 5643.2 88.3<br> 0 0 13 541.5 9.7<br> 0
0 14 1701.0 27.4<br> 0 1 1 2060.5 47.0<br> 0 1 2 4115.3 75.3 4257.1 97.5<br> 0 1 3 8782.0 280.6 7728.9 173.9<br> 0 1 5 1760.8 28.4 1778.5 33.5<br> 0 1 6 6650.2 122.2 6843.2 126.0<br> 0 1 7 1935.8 36.6 1794.2 29.1<br> <br>is that one is merged or unmerged?????<br><br>if i compare with the output.sca with scale anomalous option (off):<br> 0 0 2 3444.4 77.3<br> 0 0
3 734.9 14.0<br> 0 0 4 1705.0 27.5<br> 0 0 5 2693.8 49.4<br> 0 0 6 8383.1 153.9<br>-------------------------------------------------------<br><span style="color: rgb(255, 0, 0);">second Q?</span><br>using output.sca (with scale anomalous option on) for molecular Replacment generate MR.mtz<br>which shows F,SIGF in data labels under phenix.refine<br><br>the generated (refine_data.mtz) shows:<br>I-obs(+),SIGI-obs(+),I-obs(-),SIGI-obs(-)<br><br>what is going on in first and second run?<br>-----------------------------------------------------------------<br><span style="color: rgb(255, 0, 0);">third Q?</span><br>i want to generate anomalous difference map using phenix.map<br><br>but when i use output.sca (with scale anomalous option: ON) as reflections
file<br>the data label show ((i-obs,sigma))<br><br>how to convert this SCA file (if it is merged) to unmerged sca file to creat anomalous difference map for protein contains Br, Sn and Sulpher??<br>i want to see peaks for these 3 elements to confirm their presence. <br><br>N.B: the wavelenght was 1.00900 <br>N.B: resolution 1.78 A<br>N.B: i use GUI phenix<br><br>i am sorry for that long e-mail.<br>thank you in advance<br><br>haytham wahba<br>biochemi<br>UdeM<br>Canada<br><br><br><br></td></tr></table>