Difference between revisions of "mrcImageMultiCTFCompensation"
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0.165995<br></p> | 0.165995<br></p> | ||
</td> | </td> | ||
− | <td>[[File:Input-B120-CTF2-Cnp.png]]<br> | + | <td><p align="center">[[File:Input-B120-CTF2-Cnp.png]]<br> |
− | case: CTF Correction at single<br> | + | case: CTF Correction at single<br> </p> |
</td> | </td> | ||
<td><p align="left">Min<br> | <td><p align="left">Min<br> | ||
Line 248: | Line 248: | ||
0.116326<br></p> | 0.116326<br></p> | ||
</td> | </td> | ||
− | <td>[[File:Input-B120-CTF3-Cnp.png]]<br> | + | <td><p align="center">[[File:Input-B120-CTF3-Cnp.png]]<br> |
− | case: CTF Correction at single<br> | + | case: CTF Correction at single<br> </p> |
</td> | </td> | ||
<td><p align="left">Min<br> | <td><p align="left">Min<br> | ||
Line 282: | Line 282: | ||
0.136272<br></p> | 0.136272<br></p> | ||
</td> | </td> | ||
− | <td>[[File:Input-B120-CTF4-Cnp.png]]<br> | + | <td><p align="center">[[File:Input-B120-CTF4-Cnp.png]]<br> |
− | case: CTF Correction at single<br> | + | case: CTF Correction at single<br> </p> |
</td> | </td> | ||
<td><p align="left">Min<br> | <td><p align="left">Min<br> | ||
Line 316: | Line 316: | ||
0.112143<br></p> | 0.112143<br></p> | ||
</td> | </td> | ||
− | <td>[[File:Input-B120-CTF5-Cnp.png]]<br> | + | <td><p align="center">[[File:Input-B120-CTF5-Cnp.png]]<br> |
− | case: CTF Correction at single<br> | + | case: CTF Correction at single<br> </p> |
</td> | </td> | ||
<td><p align="left">Min<br> | <td><p align="left">Min<br> | ||
Line 375: | Line 375: | ||
=== Option -W=== | === Option -W=== | ||
− | ====Case: W= | + | ====Case: W=1==== |
<div>-o 's image</div> | <div>-o 's image</div> | ||
<table> | <table> | ||
Line 386: | Line 386: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-17.0714 (27, 31, 0)<br> |
− | + | 23.2441 (40, 52, 0)<br> | |
− | + | 5.81327e-09<br> | |
− | + | 4.65713<br> | |
− | 0. | + | 0.0582141<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 405: | Line 405: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">3.22907e-07 (0, 0, 0)<br> |
− | + | 62.9461 (46, 78, 0)<br> | |
− | + | 1.28884<br> | |
− | + | 4.68843<br> | |
− | 0. | + | 0.0586053<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
=== Option -WR=== | === Option -WR=== | ||
Line 427: | Line 426: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-11.5567 (27, 31, 0)<br> |
− | + | 15.7516 (24, 39, 0)<br> | |
− | + | 1.23206e-08<br> | |
− | + | 3.24282<br> | |
− | 0. | + | 0.0405352<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 446: | Line 445: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">2.72506e-08 (75, 37, 0)<br> |
− | + | 45.7637 (46, 78, 0)<br> | |
− | + | 0.700623<br> | |
− | + | 3.33709<br> | |
− | 0. | + | 0.0417136<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
=== Option -SinWin=== | === Option -SinWin=== | ||
Line 468: | Line 466: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-39.9332 (48, 52, 0)<br> |
− | + | 102.315 (36, 38, 0)<br> | |
− | + | 1.52273e-07<br> | |
− | + | 18.7407<br> | |
− | + | 0.234259<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 487: | Line 485: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0 ( | + | <td><p align="left">0 (40, 1, 0)<br> |
− | + | 378.143 (42, 0, 0)<br> | |
− | + | 4.1815<br> | |
− | + | 19.8843<br> | |
− | + | 0.248553<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
=== Option -ctfMode=== | === Option -ctfMode=== | ||
Line 509: | Line 506: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-24.2681 (68, 48, 0)<br> |
− | + | 207.103 (36, 38, 0)<br> | |
− | - | + | -1.0943e-09<br> |
− | + | 45.5848<br> | |
− | + | 0.56981<br></p> | |
− | </td> | + | </td> |
</tr> | </tr> | ||
</table> | </table> | ||
Line 529: | Line 526: | ||
</td> | </td> | ||
<td><p align="left">0 (0, 0, 0)<br> | <td><p align="left">0 (0, 0, 0)<br> | ||
− | + | 1280.12 (41, 0, 0)<br> | |
− | + | 6.47008<br> | |
− | + | 51.7633<br> | |
− | + | 0.647041<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
====Case: ctfMode=256==== | ====Case: ctfMode=256==== | ||
Line 549: | Line 545: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-191.228 (36, 38, 0)<br> |
− | + | 26.7763 (67, 30, 0)<br> | |
− | - | + | -3.91243e-08<br> |
− | + | 45.3127<br> | |
− | + | 0.566409<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 569: | Line 565: | ||
</td> | </td> | ||
<td><p align="left">0 (0, 0, 0)<br> | <td><p align="left">0 (0, 0, 0)<br> | ||
− | + | 1280.12 (41, 0, 0)<br> | |
− | + | 5.38217<br> | |
− | + | 51.6411<br> | |
− | + | 0.645514<br></p> | |
− | </td> | + | </td> |
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
====Case: ctfMode=257==== | ====Case: ctfMode=257==== | ||
Line 589: | Line 584: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-90.5402 (36, 37, 0)<br> |
− | + | 39.3153 (49, 51, 0)<br> | |
− | + | -1.30477e-07<br> | |
− | + | 18.1267<br> | |
− | + | 0.226584<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 608: | Line 603: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">1.17451e-06 (75, 37, 0)<br> |
− | + | 378.143 (42, 0, 0)<br> | |
− | + | 3.33762<br> | |
− | + | 19.4523<br> | |
− | + | 0.243154<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
=== Option -m=== | === Option -m=== | ||
− | ====Case: m=1, W= | + | ====Case: m=1, W=1==== |
=====Case: No other settings===== | =====Case: No other settings===== | ||
<div>-o 's image</div> | <div>-o 's image</div> | ||
Line 631: | Line 625: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-9.82557 (48, 51, 0)<br> |
− | + | 92.1757 (49, 32, 0)<br> | |
− | + | 6.14297<br> | |
− | + | 14.8838<br> | |
− | 0. | + | 0.186048<br></p> |
− | </td> | + | </td> |
</tr> | </tr> | ||
</table> | </table> | ||
Line 650: | Line 644: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0. | + | <td><p align="left">0.00108315 (40, 41, 0)<br> |
− | + | 491.438 (0, 0, 0)<br> | |
− | + | 4.1562<br> | |
− | + | 18.0735<br> | |
− | 0. | + | 0.225919<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 661: | Line 655: | ||
<div>-log 's data</div> | <div>-log 's data</div> | ||
<pre> | <pre> | ||
− | iter 0 : rms | + | iter 0 : rms 1.013455e+01 : min 1.000000e+06 |
+ | iter 1 : rms 1.355871e+00 : min 1.013455e+01 | ||
+ | iter 2 : rms 8.647722e-01 : min 1.355871e+00 | ||
+ | iter 3 : rms 6.229646e-01 : min 8.647722e-01 | ||
+ | iter 4 : rms 4.844930e-01 : min 6.229646e-01 | ||
+ | iter 5 : rms 3.971868e-01 : min 4.844930e-01 | ||
+ | iter 6 : rms 3.377429e-01 : min 3.971868e-01 | ||
+ | iter 7 : rms 2.951728e-01 : min 3.377429e-01 | ||
+ | iter 8 : rms 2.629044e-01 : min 2.951728e-01 | ||
+ | iter 9 : rms 2.370113e-01 : min 2.629044e-01 | ||
</pre> | </pre> | ||
− | ====Case: solventMode=1==== | + | =====Case: solventMode=1===== |
<div>-o 's image</div> | <div>-o 's image</div> | ||
<table> | <table> | ||
Line 675: | Line 678: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-20.1029 (48, 51, 0)<br> |
− | + | 87.1488 (49, 32, 0)<br> | |
− | + | 2.38926<br> | |
− | + | 14.7396<br> | |
− | 0. | + | 0.184245<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 694: | Line 697: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0. | + | <td><p align="left">0.00627302 (76, 14, 0<br> |
− | + | 222.088 (42, 0, 0)<br> | |
− | + | 4.12707<br> | |
− | + | 15.7098<br> | |
− | 0. | + | 0.196372<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 705: | Line 708: | ||
<div>-log 's data</div> | <div>-log 's data</div> | ||
<pre> | <pre> | ||
− | iter 0 : rms | + | iter 0 : rms 3.709238e+01 : min 1.000000e+06 |
+ | iter 1 : rms 3.539059e+00 : min 3.709238e+01 | ||
+ | iter 2 : rms 1.971014e+00 : min 3.539059e+00 | ||
+ | iter 3 : rms 1.314187e+00 : min 1.971014e+00 | ||
+ | iter 4 : rms 9.704149e-01 : min 1.314187e+00 | ||
+ | iter 5 : rms 7.649823e-01 : min 9.704149e-01 | ||
+ | iter 6 : rms 6.304888e-01 : min 7.649823e-01 | ||
+ | iter 7 : rms 5.362647e-01 : min 6.304888e-01 | ||
+ | iter 8 : rms 4.668152e-01 : min 5.362647e-01 | ||
+ | iter 9 : rms 4.135905e-01 : min 4.668152e-01 | ||
</pre> | </pre> | ||
− | + | =====Case: solventSTD=2.0, solventMode=1===== | |
− | ====Case: solventSTD=2.0, solventMode=1==== | + | |
<div>-o 's image</div> | <div>-o 's image</div> | ||
<table> | <table> | ||
Line 720: | Line 731: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">85.3666 (27, 31, 0)<br> |
− | + | 146.065 (58, 33, 0)<br> | |
− | + | 101.654<br> | |
− | + | 5.9911<br> | |
− | 0. | + | 0.0748887<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 739: | Line 750: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0. | + | <td><p align="left">0.00707058 (78, 44, 0)<br> |
− | + | 8132.32 (0, 0, 0)<br> | |
− | + | 4.62714<br> | |
− | + | 143.824<br> | |
− | + | 1.7978<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 750: | Line 761: | ||
<div>-log 's data</div> | <div>-log 's data</div> | ||
<pre> | <pre> | ||
− | iter 0 : rms | + | iter 0 : rms 1.424218e+00 : min 1.000000e+06 |
− | iter 1 : rms | + | iter 1 : rms 2.156973e-01 : min 1.424218e+00 |
− | iter 2 : rms | + | iter 2 : rms 1.394271e-01 : min 2.156973e-01 |
− | iter 3 : rms 1. | + | iter 3 : rms 1.043566e-01 : min 1.394271e-01 |
− | iter 4 : rms | + | iter 4 : rms 8.473523e-02 : min 1.043566e-01 |
− | iter 5 : rms | + | iter 5 : rms 7.243526e-02 : min 8.473523e-02 |
− | iter 6 : rms | + | iter 6 : rms 6.412249e-02 : min 7.243526e-02 |
− | iter 7 : rms | + | iter 7 : rms 5.819677e-02 : min 6.412249e-02 |
− | iter 8 : rms | + | iter 8 : rms 5.380184e-02 : min 5.819677e-02 |
− | iter 9 : rms | + | iter 9 : rms 5.044070e-02 : min 5.380184e-02 |
</pre> | </pre> | ||
− | + | =====Case: MaxIter=5, solventSTD=2.0, solventMode=1===== | |
− | ====Case: MaxIter=5, solventSTD=2.0, solventMode=1==== | + | |
<div>-o 's image</div> | <div>-o 's image</div> | ||
<table> | <table> | ||
Line 774: | Line 784: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">35.7164 (27, 31, 0)<br> |
− | + | 94.8793 (58, 33, 0)<br> | |
− | + | 52.0534<br> | |
− | + | 5.94982<br> | |
− | 0. | + | 0.0743728<br></p> |
</td> | </td> | ||
</tr> | </tr> | ||
Line 793: | Line 803: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0. | + | <td><p align="left">0.00307367 (71, 39, 0)<br> |
− | + | 4164.28 (0, 0, 0)<br> | |
− | + | 3.33262<br> | |
− | + | 73.8045<br> | |
− | + | 0.922556<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 804: | Line 814: | ||
<div>-log 's data</div> | <div>-log 's data</div> | ||
<pre> | <pre> | ||
− | iter 0 : rms | + | iter 0 : rms 1.424218e+00 : min 1.000000e+06 |
− | iter 1 : rms | + | iter 1 : rms 2.156973e-01 : min 1.424218e+00 |
− | iter 2 : rms | + | iter 2 : rms 1.394271e-01 : min 2.156973e-01 |
− | iter 3 : rms 1. | + | iter 3 : rms 1.043566e-01 : min 1.394271e-01 |
− | iter 4 : rms | + | iter 4 : rms 8.473523e-02 : min 1.043566e-01 |
</pre> | </pre> | ||
− | |||
====Case: m=16==== | ====Case: m=16==== | ||
Line 823: | Line 832: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">- | + | <td><p align="left">-90.5402 (36, 37, 0)<br> |
− | + | 39.3153 (49, 51, 0)<br> | |
− | + | -1.13944e-07<br> | |
− | + | 18.1267<br> | |
− | + | 0.226584<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 842: | Line 851: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">1.17451e-06 (75, 37, 0)<br> |
− | + | 378.143 (42, 0, 0)<br> | |
− | + | 3.33762<br> | |
− | + | 19.4523<br> | |
− | + | 0.243154<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
</table> | </table> | ||
− | |||
====Case: m=17==== | ====Case: m=17==== | ||
Line 863: | Line 871: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left"> | + | <td><p align="left">-363.432 (24, 39, 0)<br> |
− | + | 64206.9 (50, 53, 0)<br> | |
− | + | 12232.5<br> | |
− | + | 12224.9<br> | |
− | + | 152.812<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 882: | Line 890: | ||
SE<br></p> | SE<br></p> | ||
</td> | </td> | ||
− | <td><p align="left">0. | + | <td><p align="left">0.000769818 (62, 30, 0)<br> |
− | + | 978599 (0, 0, 0)<br> | |
− | + | 2152.97<br> | |
− | + | 21751<br> | |
− | + | 271.888<br></p> | |
</td> | </td> | ||
</tr> | </tr> | ||
Line 893: | Line 901: | ||
<div>-log 's data</div> | <div>-log 's data</div> | ||
<pre> | <pre> | ||
− | iter 0 : rms | + | iter 0 : rms 2.228456e+00 : min 1.000000e+06 |
− | iter 1 : rms | + | iter 1 : rms 1.072463e+00 : min 2.228456e+00 |
− | iter 2 : rms | + | iter 2 : rms 8.595473e-01 : min 1.072463e+00 |
− | iter 3 : rms | + | iter 3 : rms 7.822678e-01 : min 8.595473e-01 |
− | iter 4 : rms | + | iter 4 : rms 7.485957e-01 : min 7.822678e-01 |
− | iter 5 : rms | + | iter 5 : rms 7.339871e-01 : min 7.485957e-01 |
− | iter 6 : rms | + | iter 6 : rms 7.188863e-01 : min 7.339871e-01 |
− | iter 7 : rms | + | iter 7 : rms 7.127621e-01 : min 7.188863e-01 |
− | iter 8 : rms | + | iter 8 : rms 7.096454e-01 : min 7.127621e-01 |
− | iter 9 : rms | + | iter 9 : rms 7.069848e-01 : min 7.096454e-01 |
</pre> | </pre> |
Latest revision as of 08:10, 22 September 2014
mrcImageMultiCTFCompensation is Eos's Command that performs CTF Correction to multiple images that have each other same field and different CTF. It outputs the average image of each image after CTF Correction.
Contents
List of option
Main option
Option | Essential/Optional | Description | Default |
---|---|---|---|
-i | Essential | Input: ASCII(File List) | stdin |
-info2 | Optional | Input: ASCII(File List) | stdin |
-o | Essential | Output(average): mrcImage | stdout |
-f | Optional | Output(average): mrcImage(FFT) | stdout |
-W | Optional | WhiteNoise(Noise/Signal) | 1.0 |
-WR | Optional | WhiteNoiseRaising | 1.0 |
-SinWin | Optional | sin Windowing (R[/A]): (SinWinRmin, SinWinRmax) | (0.1, 1.0) |
-MaxIter | Optional | Max Iteration | 10 |
-ctfMode | Optional | CTFMode | 1 |
-solventMode | Optional | If solvent flatterning is used, NEED | 0 |
-solventSTD | Optional | If solvent flatterning is used as mode=1, NEED | -1.0 |
-Log | Optional | Log File Name | stderr |
-c | Optional | ConfigurationFile | NULL |
-m | Optional | Mode | 0 |
-h | Optional | Help |
-ctfMode details
Value | Description |
---|---|
0 | Phase Only |
1 | Phase and Amplitude |
+32 | With Illumination Angle |
+256 | As Absolute Value |
-m details
Value | Description |
---|---|
0 | CTF-weighted compensation, CTF/(SQR(CTF) + (NS)^2) |
+1 | Adding solvent-flattening process |
+16 | Without phase flipping, in case of images after phase only correction. |
-i format
filename0 deltaF[A] Cs[mm] kV[kV] ratioOfAmpToPhase filename1 deltaF[A] Cs[mm] kV[kV] ratioOfAmpToPhase . . . . . . . . . . . . . . .
-Info2 format
filename0.ctfinfo filename1.ctfinfo . . .
Execution example
-i data
![]() |
Min Max |
0 (0, 0, 0) 255 (49, 32, 0) |
Use simulation images that is multiplied each different CTF to above image, as input file.
/Eos/img/Input-B120-CTF2.mrc 27000 2.1 200 0.1 /Eos/img/Input-B120-CTF3.mrc 9000 2.1 200 0.1 /Eos/img/Input-B120-CTF4.mrc 27000 2.1 400 0.1 /Eos/img/Input-B120-CTF5.mrc 27000 2.1 200 0.3
![]() |
Min Max |
-67.2449 (35, 36, 0) 48.4524 (50, 51, 0) |
Min Max |
-49.3218 (28, 26, 0) 133.566 (37, 38, 0) |
![]() |
Min Max |
-57.5666 (25, 38, 0) 53.971 (44, 29, 0) |
Min Max |
-49.4192 (47, 51, 0) 137.108 (49, 32, 0) |
![]() |
Min Max |
-68.355 (24, 39, 0) 42.4746 (44, 26, 0) |
Min Max |
-43.0975 (26, 31, 0) 117.683 (49, 32, 0) |
![]() |
Min Max |
-44.9091 (37, 36, 0) 26.5736 (28, 28, 0) |
Min Max |
-33.0969 (49, 51, 0) 73.3827 (35, 37, 0) |
Case: Options only essential
![]() |
Min Max |
-40.2801 (48, 52, 0) 104.151 (36, 38, 0) |
![]() |
Min Max |
7.30857e-06 (75, 37, 0) 378.143 (42, 0, 0) |
Option -W
Case: W=1
![]() |
Min Max |
-17.0714 (27, 31, 0) 23.2441 (40, 52, 0) |
![]() |
Min Max |
3.22907e-07 (0, 0, 0) 62.9461 (46, 78, 0) |
Option -WR
Case: WR=10.0, W=0.5
![]() |
Min Max |
-11.5567 (27, 31, 0) 15.7516 (24, 39, 0) |
![]() |
Min Max |
2.72506e-08 (75, 37, 0) 45.7637 (46, 78, 0) |
Option -SinWin
Case: SinWin=(0.05, 0.2)
![]() |
Min Max |
-39.9332 (48, 52, 0) 102.315 (36, 38, 0) |
![]() |
Min Max |
0 (40, 1, 0) 378.143 (42, 0, 0) |
Option -ctfMode
Case: ctfMode=32
![]() |
Min Max |
-24.2681 (68, 48, 0) 207.103 (36, 38, 0) |
![]() |
Min Max |
0 (0, 0, 0) 1280.12 (41, 0, 0) |
Case: ctfMode=256
![]() |
Min Max |
-191.228 (36, 38, 0) 26.7763 (67, 30, 0) |
![]() |
Min Max |
0 (0, 0, 0) 1280.12 (41, 0, 0) |
Case: ctfMode=257
![]() |
Min Max |
-90.5402 (36, 37, 0) 39.3153 (49, 51, 0) |
![]() |
Min Max |
1.17451e-06 (75, 37, 0) 378.143 (42, 0, 0) |
Option -m
Case: m=1, W=1
Case: No other settings
![]() |
Min Max |
-9.82557 (48, 51, 0) 92.1757 (49, 32, 0) |
![]() |
Min Max |
0.00108315 (40, 41, 0) 491.438 (0, 0, 0) |
iter 0 : rms 1.013455e+01 : min 1.000000e+06 iter 1 : rms 1.355871e+00 : min 1.013455e+01 iter 2 : rms 8.647722e-01 : min 1.355871e+00 iter 3 : rms 6.229646e-01 : min 8.647722e-01 iter 4 : rms 4.844930e-01 : min 6.229646e-01 iter 5 : rms 3.971868e-01 : min 4.844930e-01 iter 6 : rms 3.377429e-01 : min 3.971868e-01 iter 7 : rms 2.951728e-01 : min 3.377429e-01 iter 8 : rms 2.629044e-01 : min 2.951728e-01 iter 9 : rms 2.370113e-01 : min 2.629044e-01
Case: solventMode=1
![]() |
Min Max |
-20.1029 (48, 51, 0) 87.1488 (49, 32, 0) |
![]() |
Min Max |
0.00627302 (76, 14, 0 222.088 (42, 0, 0) |
iter 0 : rms 3.709238e+01 : min 1.000000e+06 iter 1 : rms 3.539059e+00 : min 3.709238e+01 iter 2 : rms 1.971014e+00 : min 3.539059e+00 iter 3 : rms 1.314187e+00 : min 1.971014e+00 iter 4 : rms 9.704149e-01 : min 1.314187e+00 iter 5 : rms 7.649823e-01 : min 9.704149e-01 iter 6 : rms 6.304888e-01 : min 7.649823e-01 iter 7 : rms 5.362647e-01 : min 6.304888e-01 iter 8 : rms 4.668152e-01 : min 5.362647e-01 iter 9 : rms 4.135905e-01 : min 4.668152e-01
Case: solventSTD=2.0, solventMode=1
![]() |
Min Max |
85.3666 (27, 31, 0) 146.065 (58, 33, 0) |
![]() |
Min Max |
0.00707058 (78, 44, 0) 8132.32 (0, 0, 0) |
iter 0 : rms 1.424218e+00 : min 1.000000e+06 iter 1 : rms 2.156973e-01 : min 1.424218e+00 iter 2 : rms 1.394271e-01 : min 2.156973e-01 iter 3 : rms 1.043566e-01 : min 1.394271e-01 iter 4 : rms 8.473523e-02 : min 1.043566e-01 iter 5 : rms 7.243526e-02 : min 8.473523e-02 iter 6 : rms 6.412249e-02 : min 7.243526e-02 iter 7 : rms 5.819677e-02 : min 6.412249e-02 iter 8 : rms 5.380184e-02 : min 5.819677e-02 iter 9 : rms 5.044070e-02 : min 5.380184e-02
Case: MaxIter=5, solventSTD=2.0, solventMode=1
![]() |
Min Max |
35.7164 (27, 31, 0) 94.8793 (58, 33, 0) |
![]() |
Min Max |
0.00307367 (71, 39, 0) 4164.28 (0, 0, 0) |
iter 0 : rms 1.424218e+00 : min 1.000000e+06 iter 1 : rms 2.156973e-01 : min 1.424218e+00 iter 2 : rms 1.394271e-01 : min 2.156973e-01 iter 3 : rms 1.043566e-01 : min 1.394271e-01 iter 4 : rms 8.473523e-02 : min 1.043566e-01
Case: m=16
![]() |
Min Max |
-90.5402 (36, 37, 0) 39.3153 (49, 51, 0) |
![]() |
Min Max |
1.17451e-06 (75, 37, 0) 378.143 (42, 0, 0) |
Case: m=17
![]() |
Min Max |
-363.432 (24, 39, 0) 64206.9 (50, 53, 0) |
![]() |
Min Max |
0.000769818 (62, 30, 0) 978599 (0, 0, 0) |
iter 0 : rms 2.228456e+00 : min 1.000000e+06 iter 1 : rms 1.072463e+00 : min 2.228456e+00 iter 2 : rms 8.595473e-01 : min 1.072463e+00 iter 3 : rms 7.822678e-01 : min 8.595473e-01 iter 4 : rms 7.485957e-01 : min 7.822678e-01 iter 5 : rms 7.339871e-01 : min 7.485957e-01 iter 6 : rms 7.188863e-01 : min 7.339871e-01 iter 7 : rms 7.127621e-01 : min 7.188863e-01 iter 8 : rms 7.096454e-01 : min 7.127621e-01 iter 9 : rms 7.069848e-01 : min 7.096454e-01