SIMPLTN, a computer program for the simulation of pulse and lations provide familiarity with the experiment before valutwo-dimensional NMR, is described and illustrated. The program able spectrometer time is wasted, and can be used to optimize is menu-driven and is designed to run as much like a spe
Erika—A program for the decomposition of line spectra
✍ Scribed by M. Ryšavý; M. Fišer
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 766 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
✦ Synopsis
Title of program: ERIKA Nature of the physical problem After having measured a real line spectrum, it is necessary to Catalogue number: ACEH decompose it into particular lines. The present program performs this task and supplies the positions and heights of all Program obtainable from: CPC Program Library, Queen's Uni-peaks. versity of Belfast, N. Ireland (see application form in this issue) Method of solution Computer: ES 1040; Installation: Nuclear Research Institute, Every line is described by an analytic function depending on Reñear Prague, Czechoslovakia
several parameters (height, position and shape parameters). The optimum values of these parameters are determined by the Operating system: OS/2 I .8F-MVT minimization of the function x 2 using the simplex minimization method. Moreover, a background which may also be a function Programming language used: FORTRAN IV of several parameters is fitted, as well.
High speed store required: 80 kbytes
Restriction on the complexity of the problem
In the present version, the program is suitable for the decom-No. of bits in a byte: 8 position of the internal conversion spectra. To apply it to spectra of different types, the line shape should probably be Peripherals used: card reader, line printer modified (see the long write-up for details). A maximum of 20 parameters can be used. The spectrum to be decomposed must Number of cards in combined program and test deck: 1626 be given in no more than 150 points.
Cardpunching code: EBCDIC Typical runnig time
The running time depends on the number of parameters fitted.
📜 SIMILAR VOLUMES
Nature of physical problem University of Belfast, N. Ireland (see application form in The program decomposes two-dimensional spectra into the this issue) components of interest and that of background, and evaluates such quantities as volumes, two-dimensional positions Computer: CDC-6500;Installation
The paper attempts to give a practical solution to the problem of decomposition of a mixture of Gaussian components. The results of an earlier paper have been used and the described algorithm has been revised and improved. A complete Algol program is given with all the necessary comments and descri
Program ACTIV is intended for precise analysis of y-ray and versity of Belfast, N. Ireland (see application form in this issue) X-ray spectra and allows the user to carry out the full cycle of automatic processing of a series of spectra, i.e. calibration, Computer: CDC-6500 (also IBM-360, PDP-l 1/70