Program "ShiftPatterns"

Mini-Manual

The program has three tabs and a menu..

1. Info 

This tab contains  program title and contact information.

2.Plot

1. The plot of shifts, , vs. axial ligand orientation, (see the description).
2. Line selector
3. selected line parameters setting
4. "High-spin" checkbox (high-spin if checked)
5. Diamagnetic region control
6. Intensity (height) of selected line

3. Spectrum

1.  Schematic spectrum for a given angle.
2. Angle selection slider. The angle can be selected by clicking on the Plot at the previous tab.
3. Pictorial presentation of axial ligand orientation
4. Angle display (visible if the "Show Angle" checkbox 5 is checked)
5. "Show Angle" checkbox

Menu

• File Copy Picture - copies a current plot to a clipboard. It can be pasted into a graph editor or a document

• Load Default - loads predefined parameters for the spectrum with the lines labeled 1, 3, 5 and 8

• Load Symmetric - loads predefine parameters for the spectrum with the lines labeled 2, 3, 1, 4, 5 and 8. Usually the line 1 coincide with the line 5 and 4 with 8.
  

| Heme NMR shifts | Downloads |

© N. V. Shokhirev and F. A. Walker 2002-2003. All rights reserved.