# United Natural EXperiments (UNEX) 1.5.0 release

# User's manual

## Table of contents

1. Introduction.
2. Basic theses.

- The goals of program development.
- Current possibilities.
- Conditions of program usage.
- If you found error.

3. Working with program.

- Installation.
- Basics of usage.
- How to make the input file.

4. Philosophy of the base information entering.

- BASE field.
- Molecular information entering.
- Image files entering.
- Molecular geometry entering.
- Mean square amplitudes and vibrational corrections entering.
- The entering of a full information about GED terms of molecule.
- GED g-functions entering.
- The entering of the intensity and sM(s) curves.
- Potential functions entering.
- GED sector function entering.
- Scanner calibration curve entering.
- Molecular force fields entering.

5. The work with electron scattering intensity curves.

- Background line estimation.
- Background line estimation with correction by difference curve.
- Background line estimation using sector function.
- Averaging of different curves.

- Averaging of the intensity curves.
- Averaging of the experimental sM(s) curves.

- Calculation of the Fourier transforms of sM(s) curves.

6. Searching of the optimal solutions of reverse problems.

- Basics.
- Reverse problem in GED.
- Determination of the molecular geometry from rotational constants.
- Combined GED+MW reverse problem.

7. Initial processing of the GED experimental material.

- Scanning.
- Scanner calibration.
- Transformation of the diffraction patterns to intensity curves.
- Estimation of the electron wavelength and sector function.

8. Thermodynamics.

- Statistical thermodynamics.

9. Useful.

- Printing the different data.
- Additional work with images.
- Automatic dividing of the mean square amplitudes to groups.
- Other useful commands.

10. Examples of program usage.
11. Results of tests.
12. History of program changing.
13. Questions and answers.
14. References.

11.02.2007
Yura Vishnevskiy
y_v_vishnevsky@rambler.ru