Dear Phenixer,<br><br>What is the reason for the inconsistent data statistics from 'Scalpack' and 'Xtriage' ?<br><br>I scaled my data with 'Scalepack' and got the following statistics (take completeness as an example)<br>
<br> Shell I/Sigma in resolution shells:<br> Lower Upper % of of reflections with I / Sigma less than<br> limit limit 0 1 2 3 5 10 20 >20 total<br> 40.00 8.93 0.1 0.2 0.4 0.9 1.5 22.6 97.3 0.0 97.3<br>
8.93 7.10 0.8 1.7 2.7 4.1 7.1 35.8 99.2 0.0 99.2<br> 7.10 6.20 2.0 4.6 7.6 10.9 18.4 56.6 99.5 0.0 99.5<br> 6.20 5.64 2.9 6.5 11.1 16.3 27.5 65.0 99.0 0.0 99.0<br> 5.64 5.24 4.1 8.2 13.7 19.2 33.0 67.3 97.4 0.0 97.4<br>
5.24 4.93 4.3 9.4 14.8 19.9 33.1 67.6 96.1 0.0 96.1<br> 4.93 4.68 5.2 10.1 15.9 21.8 33.9 67.8 95.6 0.0 95.6<br> 4.68 4.48 5.4 11.2 17.6 24.7 37.8 69.0 94.5 0.0 94.5<br> 4.48 4.31 5.8 11.0 18.1 25.1 39.8 71.2 94.0 0.0 94.0<br>
4.31 4.16 6.4 14.3 23.6 32.7 47.2 73.6 93.7 0.0 93.7<br> 4.16 4.03 8.2 16.7 27.2 36.7 53.0 76.5 93.1 0.0 93.1<br> 4.03 3.91 9.3 20.5 32.4 42.6 57.8 79.1 93.5 0.0 93.5<br> 3.91 3.81 9.6 23.1 37.2 47.7 61.4 81.6 93.6 0.0 93.6<br>
3.81 3.72 11.6 26.5 41.3 51.7 66.1 84.5 92.9 0.0 92.9<br> 3.72 3.63 11.6 30.9 47.8 58.4 71.0 86.5 93.7 0.0 93.7<br> 3.63 3.55 14.9 34.4 50.7 62.0 74.3 88.9 94.5 0.0 94.5<br> 3.55 3.48 15.4 37.1 54.7 64.6 76.2 89.5 93.4 0.0 93.4<br>
3.48 3.42 17.2 41.5 60.1 69.4 79.6 90.8 94.0 0.0 94.0<br> 3.42 3.36 18.3 44.6 62.3 70.9 79.7 89.4 92.1 0.0 92.1<br> 3.36 3.30 20.8 46.9 64.2 71.9 79.7 88.3 90.3 0.0 90.3<br> All hkl 8.6 19.9 30.0 37.4 48.7 72.4 94.9 0.0 94.9<br>
<br>In summary, the overall completeness is 94.9%, while completeness of the lowest shell is close to 100%, and highest shell is 90.3%. But when I input the *.sca file into 'Xtriage', I got the following statistics (also completeness as an example).<br>
<br><br>----------------------------------------------------------------------------------------<br>| Res. Range | I/sigI>1 | I/sigI>2 | I/sigI>3 | I/sigI>5 | I/sigI>10 | I/sigI>15 |<br>----------------------------------------------------------------------------------------<br>
| 40.02 - 8.19 | 51.1% | 50.9% | 50.7% | 50.2% | 38.9% | 5.1% |<br>| 8.19 - 6.51 | 50.5% | 49.1% | 47.7% | 45.0% | 27.4% | 3.2% |<br>| 6.51 - 5.69 | 49.0% | 45.7% | 42.9% | 37.1% | 18.0% | 1.4% |<br>
| 5.69 - 5.17 | 47.2% | 43.3% | 39.9% | 33.0% | 15.3% | 1.3% |<br>| 5.17 - 4.80 | 45.8% | 41.6% | 38.4% | 31.6% | 14.6% | 1.2% |<br>| 4.80 - 4.52 | 44.4% | 39.7% | 35.9% | 29.1% | 13.5% | 1.1% |<br>
| 4.52 - 4.29 | 43.4% | 38.2% | 33.6% | 26.4% | 11.5% | 0.8% |<br>| 4.29 - 4.10 | 41.1% | 34.0% | 29.0% | 21.6% | 9.5% | 0.5% |<br>| 4.10 - 3.95 | 36.1% | 29.2% | 24.6% | 18.5% | 7.6% | 0.3% |<br>
| 3.95 - 3.81 | 30.8% | 24.8% | 20.8% | 15.3% | 5.5% | 0.1% |<br>| 3.81 - 3.69 | 27.4% | 21.6% | 17.7% | 12.4% | 3.8% | 0.0% |<br>| 3.69 - 3.59 | 23.8% | 18.7% | 15.2% | 10.2% | 3.0% | 0.1% |<br>
| 3.59 - 3.49 | 20.3% | 15.5% | 12.6% | 8.3% | 1.9% | 0.0% |<br>| 3.49 - 3.41 | 17.4% | 12.7% | 10.1% | 6.5% | 1.4% | 0.0% |<br>----------------------------------------------------------------------------------------<br>
<br>In summary, based on statistics from 'Xtriage', the data is quite incomplete, with only ~50% completeness even at lowest resolution shell. I convert the '*sca' into '*.mtz' file with "Reflection editor", and input the '*.mtz file' into 'Xtriage', I got another totally different statistics (completeness as an example) <br>
<br>----------------------------------------------------------------------------------------<br>| Res. Range | I/sigI>1 | I/sigI>2 | I/sigI>3 | I/sigI>5 | I/sigI>10 | I/sigI>15 |<br>----------------------------------------------------------------------------------------<br>
| 39.67 - 8.19 | 96.5% | 96.2% | 95.8% | 94.9% | 74.0% | 10.0% |<br>| 8.19 - 6.51 | 96.3% | 94.4% | 92.1% | 87.3% | 54.5% | 7.0% |<br>| 6.51 - 5.69 | 92.6% | 88.1% | 83.3% | 72.7% | 36.2% | 3.5% |<br>
| 5.69 - 5.17 | 88.6% | 83.4% | 77.7% | 64.9% | 30.7% | 3.4% |<br>| 5.17 - 4.80 | 85.6% | 80.0% | 74.8% | 62.3% | 29.4% | 3.3% |<br>| 4.80 - 4.52 | 82.6% | 76.4% | 70.1% | 57.4% | 26.9% | 3.0% |<br>
| 4.52 - 4.29 | 80.6% | 73.4% | 65.7% | 52.3% | 23.2% | 2.2% |<br>| 4.29 - 4.10 | 74.4% | 65.2% | 56.6% | 42.7% | 19.5% | 1.3% |<br>| 4.10 - 3.95 | 64.2% | 55.7% | 48.2% | 36.7% | 15.5% | 1.0% |<br>
| 3.95 - 3.81 | 55.3% | 47.3% | 40.8% | 30.4% | 11.2% | 0.4% |<br>| 3.81 - 3.69 | 48.7% | 40.9% | 34.7% | 24.8% | 8.1% | 0.2% |<br>| 3.69 - 3.59 | 41.8% | 35.8% | 29.7% | 20.2% | 6.1% | 0.1% |<br>
| 3.59 - 3.49 | 35.3% | 29.4% | 24.5% | 16.6% | 4.1% | 0.0% |<br>| 3.49 - 3.41 | 30.1% | 24.1% | 19.8% | 13.2% | 2.9% | 0.0% |<br>----------------------------------------------------------------------------------------<br>
<br>I am confused by the inconsistent statistics, could some explain it? Thanks.<br><br>Yu <br><br><br> <br>