Main Panel
Run Number: Selects which calculation job or “run” is currently being viewed or edited
New Run: Make a setup for a new calculation run
Copy Run: Make a new calculation run by copying the current one
Delete Run: Delete the current calculation run settings
Peak Lists
Documentation missing
Table 1 |
# |
Row number |
Experiment |
The name of the experiment that contains the input peak list |
Spectrum |
The name of the spectrum that contains the input peak list |
Serial |
The serial number of the input peak list within its spectrum |
Peaks |
The number of peaks in the peak list |
Remove Selected: Remove the selected peak list from consideration (does not delete the data)
Add Peak List: Add the selected peak list as calculation input
*None*: Selects a peak list which may be added as calculation input
Restraint Lists
Documentation missing
Table 2 |
# |
Row number |
Restraint Type |
The type of restraints in the input restraint list |
Restraint Set |
The restraint set that contains the input restraint list |
Serial |
The serial number of the input restraintlist within its restraint set |
List Name |
The textual name of the input restraint list |
Restraints |
The number of restraints in the input restraint list |
Remove Selected: Remove the selected restraint list from consideration (does not delete the data)
Add Restraint List: Add the selected restraint list as calculation input
*None*: Selects a restraint list which may be added as calculation input
Run Settings
Documentation missing
aria: Documentation missing
CNS Executable: Documentation missing
Select File: Documentation missing
Working Directory: Documentation missing
Select File: Documentation missing
Temporary Directory: Documentation missing
Select File: Documentation missing
Table 3 |
PeakList |
Documentation missing |
Filter Violated? |
Documentation missing (Editable) |
Keep Assignments? |
Documentation missing (Editable) |
Shift List |
Documentation missing |
Table 4 |
Constraint List |
Documentation missing |
Name |
Documentation missing |
Filter Violated? |
Documentation missing (Editable) |
Ambiguous Protocol? |
Documentation missing (Editable) |
Output Data
Documentation missing
Table 5 |
Data Type |
The kind of data output by the calculation |
# |
the serial number of the output data, within the calculation run |
Name |
The name of the output data |
CCPN Data |
The identity of any CPN objects that are lined to/as output data |
Parameters |
Any parameters which relate to the output data |
Weight |
Any fractional weighting that was applied to the output data |
ARIA Project File: Documentation missing
Launch ARIA GUI: Documentation missing
Setup Project: Documentation missing
Submit to CcpnGrid: Documentation missing