Scripts of the NMRPipe System
showCS.tcl: Display and Analyze Observed vs Predicted Chemical Shifts in an NMRPipe-Format Table.
| Flag |
Argument |
Default |
Description |
-in |
csInName |
csCalc.tab |
CS Input Table. |
-sd |
s |
3.0 |
Outlier Standard Deviation Count. |
-graph |
|
|
Draw CS Graphs (Default). |
-nograph |
|
|
No CS Graphs, Print Statistics Only. |
-nohms |
|
|
Ignore Ring Current HM_SHIFT Values. |
-single |
|
|
Single Class Only. |
-verb |
|
|
Verbose Mode: Print Outlier List. |
Comparison of Two Shift Tables:
-ref |
csRefName |
None |
Optional CS Reference Table. |
-off |
offset |
0 |
ResID Offset for Reference. |
Notes:
CS Input must have both CS_OBS and SHIFT values.
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