PSR-0321 GRPANL.

1. NAME OR DESIGNATION OF PROGRAM:  GRPANL.

3. DESCRIPTION OF PROGRAM OR FUNCTION

GRPANL (GRouP ANaLysis) is a suite of programs which analyzes and interprets regions of germanium and alpha-particle detector pulse-height spectra. GRPANL is the main peak-fitting program; the other programs included are used in conjunction with GRPANL. GRPANL is particularly useful for accurately deconvoluting and interpreting complex clusters of peaks  in a spectrum. GRPANL fits peaks in specified regions of a gamma- ray, x-ray, or alpha-particle spectrum, calculates their energies and intensities, and optionally calculates the photon emission rates for the sample from which they were emitted. It can also identify and measure isotopes in a sample. GRPANL output can be immediately analyzed for quantitative isotopic assays or stored in an intermediate data file.
The other programs are EDIGRP, LIBRY, and GEVAL. EDIGRP (EDIt GRouP) creates and edits an analysis control file that contains input parameters and analysis options for spectral regions analyzed  by GRPANL: users can repeat or modify an analysis without retyping input. LIBRY (LIBRarY) assembles and cross references selected nuclear decay scheme data and stores it in decay scheme data files for use by GRPANL and GEVAL. GEVAL (Gamma ray EVALuation) uses these data files along with GRPANL intermediate results to identify isotopes, calculate their abundance in a sample, and print the corresponding disintegration rates and abundances at counting and zero times.

4. METHOD OF SOLUTION

The peaks in any x- or gamma-ray spectrum are always superimposed on a background distribution resulting from the  Compton scattering process. GRPANL first removes the background continuum before starting the fitting process thus reducing the number of fitting parameters. GRPANL then estimates the initial peak heights and positions. The Gauss-Seidel, or Newton-Raphson, iterative least-squares technique is applied to fit the data because the equations describing the peak-shape are nonlinear in form. Convergence is determined by comparing the magnitude of the last change in each variable with a specified convergence criterion. Once convergence is attained, fuel calculations are made for peak energies, intensities, and their respective uncertainties. The intensity uncertainties are based on counting statistics and on the  goodness-of-fit.

5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

Maxima of -
   1024 channels per peak
     40  degrees of freedom
     40 peaks
GEVAL can evaluate a maximum of 200 peaks.

6. TYPICAL RUNNING TIME:  The programs are interactive.

7. UNUSUAL FEATURES OF THE PROGRAM:

8. RELATED AND AUXILIARY PROGRAMS

GRPANL uses an analytical expression for the peak-shape function similar to that used in GAMANAL (NESC 9564). Unlike GAMANAL, GRPANL does not have a peak search or peak insert routine. Instead, it uses data created by EDIGRP or supplied by the user containing pertinent analytical instructions and parameter constants.
GRPANL uses the LLNL DIGRAPH and DIGLIB (NESC 9639) codes to produce graphical output. These programs are supplied in object form only.

10. REFERENCES

- R. Gunnink and W.D. Ruhter:
  GRPANL - A Program Fitting Complex Peak Groupings for Gamma and
  X-Ray Energies and Intensities
  UCRL-52917 (January 1980).

- R. Gunnink et al.:
  GRPANL: A Suite of Computer Programs for Analyzing Complex Ge
  and Alpha-Particle Detector Spectra, Volume 1
  UCRL-53861, Vol. 1 (May 1988)
- R. Gunnink et al.:
  Operations Guide for GRPANL: A Suite of Computer Programs for
  Analyzing Complex Ge   and Alpha-Particle Detector Spectra,
  Volume 2
  UCRL-53861, Vol. 2 (May 1988)
- GRPANL Sample Output (May 1988)

11. MACHINE REQUIREMENTS:  The codes run on the VAX family of computers.

13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED

GRPANL uses the LLNL DIGRAPH and DIGLIB codes to produce graphical output. These programs are supplied in object form only. The VMS Fortran compiler  was used on the VMS 4.7 operating system.

14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

The
auxiliary programs CALDET, XDIST, LLFIT, and PKSHAP described in the reference reports are not included in the package. CALDET is used as an aid in calibrating a new detector. LLFIT fits an nth order polynomial to the data and reports the coefficients of the fit. These coefficients may then be stored in the detector coefficients file for subsquent analysis using this newly calibrated detector.

15. NAME AND ESTABLISHMENT OF AUTHORS

Contributed by:
          Radiation Safety Information Computational Center
          Oak Ridge National Laboratory
          Oak Ridge, Tennessee, U. S. A.

Developed by:
          W.D. Ruhter
          Nuclear Chemistry Division
          Lawrence Livermore National Laboratory
          through the Energy Science & Technology Software Center,
          Oak Ridge, Tennessee, USA

test-case data   mag tape000022.L14 Sample problem, spectral data   DATTP
miscellaneous    mag tapeAAA_AUX.TXT List of auxiliary files        MISTP
miscellaneous    mag tapeAAA_PROG.TXT List of GRPANL source files   MISTP
test-case data   mag tapeABSCOF.DAT EDIGRP sample pb, absorp. coeff.DATTP
source program   mag tapeANCR.FOR GRPANL subroutines, FORTRAN sourceSRCTP
source program   mag tapeCALGPM.FOR GRPANL subroutine CALGPM        SRCTP
source program   mag tapeCALIB.FOR GRPANL subroutine CALIB          SRCTP
test-case data   mag tapeEDI.COM Command to create EDIGRP object libDATTP
source program   mag tapeEDIGRP.FOR EDIGRP source                   SRCTP
source program   mag tapeEDIPKS.FOR EDIGRP subroutine EDIPKS        SRCTP
source program   mag tapeEDVERS.FOR EDIGRP subroutine EDVERS        SRCTP
source program   mag tapeEVAL.FOR GRPANL surboutine EVAL            SRCTP
source program   mag tapeEVLMLR.FOR GEVAL subroutine EVLMIR         SRCTP
source program   mag tapeEVLOUT.FOR GEVAL subroutine EVLOUT         SRCTP
source program   mag tapeFIT.FOR GRPANL subroutine FIT              SRCTP
source program   mag tapeGETFLOP.FOR GRPANL subroutine GETFLOP      SRCTP
source program   mag tapeGETGRP.FOR EDIGRP subroutine GETGRP        SRCTP
source program   mag tapeGETPMS.FOR EDIGRP subroutine GETPMS        SRCTP
source program   mag tapeGEVAL.FOR GEVAL FORTRAN source             SRCTP
test-case data   mag tapeGEVAL.PMS GEVAL parameters                 DATTP
test-case data   mag tapeGEVLLCOM.PMS GEVAL parameters              DATTP
test-case data   mag tapeGEVIK.DOM Command file to link GEVAL       DATTP
source program   mag tapeGFIT.FOR GRPANL subroutine GFIT            SRCTP
source program   mag tapeGPM.FOR GRPANL surboutine GPM              SRCTP
source program   mag tapeGRAPH.FOR GRPANL subroutine GRAPH          SRCTP
source program   mag tapeGRPANL.FOR GRPANL MAIN routine             SRCTP
miscellaneous    mag tapeGRPANL.HLP GRPANL HELP file                MISTP
miscellaneous    mag tapeGRPDEFS.TXT Variable definitions           MISTP
test-case data   mag tapeGRPEVC.PMS COMMON blocks for EVAL section  DATTP
test-case data   mag tapeGRPGEV.PMS GEVAL parameter file            DATTP
test-case output mag tapeGRPGMS.PMS Arrays produced by OUT          OUTTP
test-case data   mag tapeGRPGSP.PMS GRPANL parameter file           DATTP
test-case data   mag tapeGRPKCM.PMS COMMON blocks with peak info    DATTP
test-case data   mag tapeGRPLGCM.PMS GRPANL parameter file          DATTP
test-case data   mag tapeGRPRFL.PMS Blocks to transfer peak profilesDATTP
test-case data   mag tapeGRPYLG.PMS Blocks with param. & ctrl info. DATTP
bin data lib     mag tapeLI.DET Library of nuclide decay schemes    LBBTP
source program   mag tapeLDMTRX.FOR GRPANL subroutine LDMTRX        SRCTP
source program   mag tapeLIBRY.FOR LIBRY Fortran source             SRCTP
test-case data   mag tapeLKGRP.COM Command file to link GRPANL      DATTP
source program   mag tapeLODGRP.FOR GRPANL subroutine LODGRP        SRCTP
source program   mag tapeLODMTRX.FOR GEVAL subroutine LODMTRX       SRCTP
source program   mag tapeMATINV.FOR GRPANL subroutine MATINV        SRCTP
source program   mag tapeMLR.FOR GRPANL subroutine MLR              SRCTP
test-case data   mag tapeNP237.FIL Sample control file              DATTP
bin data lib     mag tapeNP237.LB1 Data library created by LIBRY    LBBTP
bin data lib     mag tapeNP237.LB2 Data library created by LIBRY    LBBTP
bin data lib     mag tapeNP237.LIB Data library created by LIBRY    LBBTP
source program   mag tapeOUT.FOR GRPANL subroutine OUT              SRCTP
source program   mag tapePCKCMP.FOR GRPANL subroutine PCKCMP        SRCTP
source program   mag tapePICKCMP.FOR GRPANL subroutine PICKCMP      SRCTP
source program   mag tapePLOTFL.FOR GRPANL subroutine PLOTFL        SRCTP
source program   mag tapeRDGAMS.FOR GRPANL subroutine RDGAMS        SRCTP
source program   mag tapeRDHDR.FOR GRPANL subroutine RDHDR          SRCTP
source program   mag tapeRDUMMY.FOR GRPANL subroutine RDUMMY        SRCTP
source program   mag tapeREADIN.FOR GRPANL subroutine READIN        SRCTP
source program   mag tapeSVPKS.FOR GRPANL subroutine SVPKS          SRCTP
test-case data   mag tapeSYMBLS.DAT Sample problem, chemical symbolsDATTP
source program   mag tapeUTSUBS.FOR GRPANL Fotran source            SRCTP
bin data lib     mag tapeDIGLIB.OLB DIGLIB object library (BINARY)  LBBTP
bin data lib     mag tapeDIGRAPH.OLB DIGRAPH object library (BINARY)LBBTP
report                   UCRL-53861, Vol. 1 (May 1988)              REPPT
report                   UCRL-53861, Vol. 2 (May 1988)              REPPT
report                   GRPANL Sample Output (May 1988)            REPPT