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Optimized for standards. Hosted by Red Hat. Therefore, all P i and P are between 0. The program searches for a maximum of the total quality estimate P.

If they are correct, should be slightly less than 1 ideal value is taken as 0. Increases with ALPHA. OSCILL shows the smoothness of the solution.

Decreases with ALPHA. Ideal value 1. Here denotes the function norm. STABIL shows stability of the solution with respect to the change of ALPHA.

Ideal value 0. SYSDEV indicates the presence of systematic deviations of the restored smeared curve I res s from the experimental data I exp s.

Important parameter unless you suspect your data contain systematic deviations. POSITV relative norm of positive part of P r.

Ideal value, of course, 1. VALCEN indicates validity of the chosen interval in real space relative norm of the central part of P r. Ideal value tends to 1 0.

Much less than 1 if your interval is too wide. The user is asked to enter the ALPHA value. If this value is already known to the user e.

A positive ALPHA means automatic search of ALPHA by maximizing the total quality estimate as described below; no further manual refinement is possible this is convenient for using GNOM in the batch mode.

This plot would help the user to correct ALPHA manually in the cases when the automatic search breaks down see Practical advices.

The search of ALPHA works as follows. First the program finds the theoretical maximum highest ALPHA value for the given problem [7] in graphic representation the Y-axis is drawn through this value.

The default set is:. Note that parameters OSCILL , STABIL and SYSDEV are considered to be most important. If zero value is encountered, the program stops evaluating the grid.

This is made in order to avoid useless computations for too small ALPHA values. When you increase the distribution width for a given parameter, larger deviations from the expected values are allowed for this parameter.

When you increase the weight of a parameter, it plays a more significaht role in the estimate, therefore the solution maximizing the estimate will be shifted to fulfill the corresponding criterion.

The changed set of parameters can be stored onto an ASCII disk file and then used The solution can also be plotted on the screen. The intensity plot presents together the experimental data astericks , the desmeared solid curve and the corresponding smeared dotted curve.

These modified curves are are plotted and printed onto the output file. The distribution plot shows the obtained correlation or size distribution function.

Radius of gyration and zero angle intensity are also evaluated in real space using the P r function. In this file user may also edit all the values including ideal estimations.

After the soluton is accepted by the user, the errors propagation can be estimated. This is made via a series of Monte-Carlo simulations. The standard deviations in the p r function as well as in the radius of gyration and zero-angle intensity are evaluated.

The random sequence is initiated by the four-digit value of current time min:sec , so that slightly different values of error estimates are obtained on exactly the same data set the number of Monte-Carlo generations is Note: the Monte-Carlo routines were rewritten for the versions E3.

Graphic routines in the program use MS-Fortran 5. On UNIX machines, a possibility exists to use the public domain Gnuplot graphic package.

It is used not as a separate interactive program, but as a graphic library. To use Gnuplot version of GNOM, Gnuplot version 3. After the job is finished, the user is asked whether to run the program again parameter NEXTJOB.

Answering No stops the program. Yes means new job. Same means that the new data set will be calculated under the same conditions as the previous one with the same integral kernel.

Answering a question mark? Runtime output format is identical to format of output file. It contains first alpha search history, then regularized curve, and finally P r distribution.

This chapter has arisen as a result of practical applications of GNOM and is based mainly on the typical user questions. GNOM is intended to be as user-friendly as possible, that is, it normally runs OK using the default answers.

In particular, default value of the number of real space points is highly recommended to use. The units in real and reciprocal space must be reciprocal to each other.

If you want particle sizes in miles, the input file has to contain momentum transfer in reciprocal miles. The units of the parameters describing beam divergency should be the same as for the momentum transfer.

All the weighting functions are normalized so that the desmeared curve is on the same scale as the smeared one.

This does not mean that the program works only for this wavelength, because the wavelength information is already contained in the s -units.

One more thing about the wavelength effects: in X-ray experiments with the conventional sources X-ray tubes they are normally negligible.

The rectangular slit geometry assumed for the 1D-detectors is normally a good approximation for practical applications. It is valid, of course, both for linear multi-channel detectors and single channel moving detectors.

Note that the slit-height function, if non-symmetric, can be symmetrized, because of the properties of the slit-smearing integral.

Asymmetries in the slit-width function, if exist, can be neglected, as the slit-width effects are normally small. The case of "infinitely long slit" can be covered, e.

For a more detailed description of the smearing effects see, e. Ref [1] , Ch.

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