Abstracts last updated DEC. 2. 1993 Nestor Z. =========================================================================== Title :DIFFRACTIONSUITE Keywords :CBED, HOLZ, KINEMATICAL APPROXIMATION Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS Programming Language :Fortran 77 Hardware Requirements :TEKTRONICS 4010 TERMINAL OR SUITABLE EMULATOR Author(s) :JOHN F. MANSFIELD (919)-248-1800 Correspondence Address :THE MICROELECTRONICS CENTER OF NORTH CAROLINA :PO BOX 12889, RESEARCH TRIANGLE PARK, N.C. 27709. Abstract: This set of software routines will calculate a data file of reciprocal lattice vectors for any crystal, when supplied with the lattice parameters and the lattice type, and then plot simulated convergent beam electron diffraction zone axis patterns (CBED ZAPs). The simulations are currently limited to plots of the zero layer discs, plots of the bright field deficiency higher order laue zone lines and both of the above simultaneously. The manual for this suite of routines was written on an apple macintosh using "macwrite", with examples of actual plots "pasted" into the text from the terminal emulation program "versaterm". A copy of the text of the manual resides in the emmpdl under the title "diffractionsuite.doc. to receive a complete copy including figures, please send a blank macintosh disk the author. ------------------------------------------------------------------------------ Title :MOCBEDOFF Keywords :CBED, Thickness, TEM Computer Control Computer :IBM PC Operating System :DOS Programming Language :Pascal Hardware Requirements :None Author(s) :M.T. Otten Correspondence Address :Philips Analytical :International Business Centre :Electron Optics,Building AAE :5600 MD Eindhoven,The Netherlands Abstract: CMCBEDOFF is an off-line computer program which allows the users to determine specimen thicknesses using convergent beam electron diffraction patterns. Users are prompted to input all relevant parameters needed to perform thickness calculations. Unlike CMCBEDON, this program requires no microscope interfaces and can be run on a standard PC, with users supplying data measured from micrographs. July 1989 ----------------------------------------------------------------------------- Title :MOCBEDON Keywords :CBED, Thickness, TEM Computer Control Computer :IBM PC Operating System :DOS Programming Language :Pascal Hardware Requirements :Philips CM Series Computer Interface Author(s) :M.T. Otten Correspondence Address :Philips Analytical :International Business Centre :Electron Optics,Building AAE :5600 MD Eindhoven,The Netherlands Abstract: CMCBEDON is an on-line computer program which allows the user of a Philips CM series TEM/STEM to determine specimen thicknesses using convergent beam electron diffraction patterns. Unlike CMCBEDOFF, this program requires a Philips CM series computer/microscope interfaces. Using interactive programing data required for calculations is supplyed/measured directly from microscope. No micrographs are therefore required. July 1989 -------------------------------------------------------------------------- Title :STEREOPROJ Keywords :Stereographic Projection, CBED, SAD, TEM, AEM, HOLZ Computer :IBM PC/XT/AT or compatible Operating System :PC-DOS Programming Language :BASICA or QUICKBASIC (QUICKBASIC preferred) Hardware Requirements :Hewlett Packard HP7470A Plotter required. Author(s) :John R. Porter Correspondence Address :Rockwell International Science Center, :Thousand Oaks, CA 91360. Abstract: The program, written in IBM BASICA, plots stereographic projections, CBED and HOLZ line simulations, and performs axis/angle pair calculations. Output is to the screen or a Hewlett Packard HP 7470A Plotter. Stereographic projections are drawn to scale for subsequent manipulations with a standard 18cm. Wulff net and can be plotted for cubic, hexagonal, tetragonal and monoclinic crystal systems in any orientation. Plotted poles can be restricted to those allowed by structure factor considerations (for certain structures) or restricted to those in certain Laue zones. The program leads the user through menus to determine the structure and orientation for the projection, which is then plotted accordingly. Version 4.00 is significantly enhanced compared to earlier versions. Screen output is improved, more crystal structures are supported the user interface is more forgiving and the program is faster. Also, the HOLZ line routine has been modified and should be more accurate. --------------------------------------------------------------------------- Title :STERPROJ_IBM_V4 Keywords :Stereographic Projection, CBED, SAD, TEM, AEM, HOLZ Computer :IBM PC/XT/AT or compatible Operating System :PC-DOS Programming Language :QUICKBASIC 4.5 Hardware Requirements :Hewlett Packard HP7470A Plotter required. Author(s) :John R. Porter Correspondence Address :Rockwell International Science Center, :Thousand Oaks, CA 91360. Abstract: This QuickBASIC program plots stereographic projections, CBED and HOLZ line simulations, and performs axis/angle pair calculations. Output is to the screen or a Hewlett Packard HP 7470A Plotter. Stereographic projections are drawn to scale for subsequent manipulations with a standard 18cm. Wulff net and can be plotted for cubic, hexagonal, tetragonal and monoclinic crystal systems in any orientation. Plotted poles can be restricted to those allowed by structure factor considerations (for certain structures) or restricted to those in certain Laue zones. The program leads the user through menus to determine the structure and orientation for the projection, which is then plotted accordingly. Version 4.00 is significantly enhanced compared to earlier versions. EDITORS NOTE: THIS IS A NEW UPDATED VERSION OF STERPROJ- IBM (FEB.1990) ----------------------------------------------------------------------------- Title: STERPROJ_MAC Keywords: Stereographic Projection, CBED, SAD, TEM, AEM, HOLZ Computer: Macintosh Plus or II Language: QuickBASIC for Macintosh Hardware: Hewlett Packard HP7470A Plotter or Laserwriter Author: John R. Porter Address: Rockwell International Science Center, Thousand Oaks CA 91360 Abstract: Stereographic Projection for Macintosh is the Macintosh version of the STERPROJ program previously available for the PC. The program plots stereographic projections, CBED simulations, HOLZ line patterns and performs axis/angle pair calculations. The program supports cubic, hexagonal, tetragonal and monoclinic crystal systems. Separate executable versions are included for Mac Plus and Mac II (SPMAC+.EXE and SPMACII.EXE). The .DOC file is in Macwrite format. Sample data files are also included (extension .MACXTL). --------------------------------------------------------------------------- Title :TCBED Keywords :CBED Computer :VAX, Macintosh, Machine independent Operating System :Any Programming Language :Fortran 77 Hardware Requirements :Line printer Author(s) :J.M. Zuo and J.C.H. Spence Correspondence Address :Physics Dept, Arizona State Univ., Tempe, AZ 85287, USA Abstract: A Transmission Convergent Beam Electron diffraction program which simulates the two-dimensional distribution of intensity in CBED disks. The program includes three-dimensional (HOLZ) diffraction for non-centrosymmetric crystals with absorption and inclined boundaries. It uses Bloch wave (matrix diagonalization for general complex matrix) method. A complete description, source code and test data are given in J. Elec. Micros. Tech., May, 1989 (Zuo et al). An application to GaAs can be found in Phys. Rev. Lett., Vol 61, P353 (1988). The program produces a numerical output file and a two-digits intensity map on line printer. ----------------------------------------------------------------------------- Title :DOSE Keywords :Electron Dose Measurement, TEM Computer Control Computer :IBM PC Operating System :DOS Programming Language :Pascal Hardware Requirements :Philips CM Series Computer Interface Author(s) :M.T. Otten Correspondence Address :Philips Analytical :International Business Centre :Electron Optics,Building AAE :5600 MD Eindhoven,The Netherlands Abstract: Dose is an on-line computer program which allows the user of a Philips CM series TEM/STEM to determine specimen electron irradiation dose through the use of the Philips CM Series Computer Interface. Simple interactive questions allow the user to determine experimentally the nominal irradiation dose from screen current measurements. Feb. 1990 --------------------------------------------------------------------------- Title :DYNADF Keywords :Dark Field, TEM Computer Control Computer :IBM PC Operating System :DOS Programming Language :Pascal Hardware Requirements :Philips CM Series Computer Interface Author(s) :M.T. Otten Correspondence Address :Philips Analytical :International Business Centre :Electron Optics,Building AAE :5600 MD Eindhoven,The Netherlands Abstract: DYNADF is an on-line computer program which allows the user of a Philips CM series TEM/STEM to simulate the Dynamic Annular Dark Field operating mode. DYNADF.COM simulates for the CM TEM the Dynamic Conical Dark Field mode as it is available on the CM/STEM microscope. In the latter, the presence of the scan generator allows continuous scanning of the beam in a hollow cone. Since the CM TEM doesn't have a scan generator, the Dynamic mode is not available, but a similar effect can be obtained by continuously turning the MULTIFUNCTION X knob under computer control. Feb. 1990 --------------------------------------------------------------------------- Title :MOAUTOCOND Keywords : TEM Computer Control Computer :IBM PC Operating System :DOS Programming Language :Pascal Hardware Requirements :Philips CM Series Computer Interface Author(s) :M.T. Otten Correspondence Address :Philips Analytical :International Business Centre :Electron Optics,Building AAE :5600 MD Eindhoven,The Netherlands Abstract: AUTOCOND is an on-line computer program which allows the user of a Philips CM series TEM/STEM to automatically condition the High Voltage of a CM20/CM30 instrument using remote computer control. JAN. 1992 -------------------------------------------------------------------------- Title :ONEDISANL Keywords :CTEM, DISOLOCATIONS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :R. J. Holton Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: ONEDISANL is a modified version of the original ONEDIS program developed by the group of A.K. Head, P. Humble, L.M. Clarebrough, A.J. Morton and C.T. Forwood at CSIRO Division of Tribophysics, University of Melbourne, Autralia for calculating disolcation images for the TEM. This version modifies only their output algorithms for output to a serial data file rather than overprinting upon a line printer. Using the included program (IMOUT) this can then be displayed as a randomized dither pattern on a DEC LA100 or LA50 printer ------------------------------------------------------------------------------- Title :TWODISANL Keywords :CTEM, DISOLOCATIONS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :R. J. Holton Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: TWODISANL is a modified version of the original TWODIS program developed by the group of A.K. Head, P. Humble, L.M. Clarebrough, A.J. Morton and C.T. Forwood at CSIRO Division of Tribophysics, University of Melbourne, Autralia for calculating disolcation images for the TEM. This version modifies only their output algorithms for output to a serial data file rather than overprinting upon a line printer. Using the included program (IMOUT) this can then be displayed as a randomized dither pattern on a DEC LA100 or LA50 printer ------------------------------------------------------------------------------- Title :$$EELSDATA Keywords :EELS SPECTRA Computer :All systems Operating System :None Programming Language :None Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: Experimental EELS spectra are now available in the EMMPDL. They are generally titled in the form of: $NAME.PDL Where the notation PDL indicates that they are ASCII files stored in the EMMPDL data format (see RWEMMPDL.ABS). To locate these files set your DIR.FILENAME.FILETYPE to EELS.*.PDL in the Menu Options of the EMMPDL. You may access and transfer these file by all telecommunications options. ------------------------------------------------------------------------------- Title :ELSKKT Keywords :EELS,CTEM,OPTICAL PROPERTIES Computer :11/730-785 Operating System :Vax/Vms Programing Language :Fortran IV Hardware Requirements :None Author(s) :Alex H. Buxbaum Correspondence Address :Department of Materials Engineering, Technion- Israel Institute of Technology Haifa 32000, Israel. Abstract: ELSKKT is program written for the purpose of obtaining the loss function and dielectric constant (real and imaginary parts) of materials, from Electron Energy Loss (EELS) spectra obtained in the transmission electron microscope. Usefull data generally begines around 8eV, for an instrument with a resolution of 2 eV. After correcting for multiple scattering, data is treated by using the Kramers-Kronig Analysis. --------------------------------------------------------------------------- Title :EMMFF V. 1.0 Keywords :XEDS,EELS,AES,WDS,CLS,GAM,XRF,PES Computer :IBM, MAC, DEC Operating System :ALL Programming Language :Fortran 77 Hardware Requirements :None Author(s) :EMSA/MAS TASK FORCE Ray Egerton ,Charles E. Fiori ,John A. Hunt, Mike S. Isaacson,Earl J. Kirkland ,Nestor J. Zaluzec Correspondence Address :R.F. EGERTON-CHAIRMAN University of Alberta Dept. of Physics Edmonton, Alberta, Canada, T6G2J1 Abstract: A simple format for the exchange of digital spectral data is presented, and proposed as an EMSA/MAS standard. This format is readable by both humans and computers and is suitable for transmission through various electronic networks (BITNET, ARPANET), the phone system (with modems) or on physical computer storage devices (such as floppy disks). The format is not tied to any one computer, programming language or computer operating system. The adoption of a standard format would enable different laboratories to freely exchange spectral data, and would help to standarize data analysis software. If equipment manufacturers were to support a common format, the microscopy and microanalysis community would avoid duplicated effort in writing data-analysis software. This version of EMSAMASFF contains two subroutines which read and write spectral data files Version 1.0 data format. The data are stored as simple ASCII characters at a user defined number of columns per line for the length of the data file. The spectral data is preceeded by a series of header lines, which tell the user about the parameters of the spectrum. The header lines are identified by the first character in the line being the symbol (#) followed by a descriptor and if appropriate its units. An example of a data file format can be found in the EMSAMASFF.DOC file. ------------------------------------------------------------------------------ Title :NELSV21 Keywords :EELS Computer :DEC VAX-11/730 - 11/785 or higher series Operating System :VMS Programming Language :Fortran IV Hardware Requirements :Tektronics 4010 Series Graphic Terminal or Emulator Author(s) :Nestor J. Zaluzec Correspondence Address :Electron Microscopy Center, Materials Science, Bldg 212 :Argonne Nat. Lab, Argonne, IL. 60439 USA Abstract: NELS is a generic data analysis computer program for reduction of EELS spectra. The program performs the functions of spectral calibration, KLM edge identification, background fitting & subtraction, edge integration, digital filtering, and general spectral maniputlation. The input spectra are assumed to be in the EMMPDL spectral file format (see RWEMMPDL.ABS). The program can handle simultaneously three spectra of upto 4096 channels in length. A shorter and less elaborate version is available for smaller DEC computers running RT-11. The program NELS requires a computer terminal which responds to the graphics protocol of Tektronics 4010/4014 series terminal (see NGRAPH.ABS) and an atomic inner shell energy level data file (see ATMLVL.ABS). --------------------------------------------------------------------------- Title :NTLAMDA Keywords :EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec (312-972-5075,4964) Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: NTLAMDA is a simple fortran program which allows the user to calculate the approximate thickness of a specimen based upon the measured EELS spectral intensity ratio Io/It, which can be shown to be equal to the ratio of the local thickness (t) to the mean free path for inelastic scattering (lamda). The formulae are based upon the work of Egerton and Cheng (Ultramicroscopy, 21, 1987 pge 231-244), but has been generalized to simplify data input and entry. The user must know the nominal elemental constitutents of the specimen, and is prompted for all necessary input parameters required for the calculation. --------------------------------------------------------------------------- Title :NTRANS Keywords :XEDS, EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: NTRANS is a computer program which translates manufacturers XEDS and EELS spectral data into the EMMPDL data format. It utilies the RWEMMPDL subroutines contained in the EMMPDL. At present this version translates both EDAX and TRACOR-Northern and Link Systems data files. Examples of translated spectra can be found spectra can be found in the XEDS and EELS subdirectories of the EMMPDL. ------------------------------------------------------------------------------- Title :PINT Keywords :EELS - planar interface calculations Computer :VAX 780 Operating System :VAX/VMS version 4.7 Programming Language :FORTRAN 77 Hardware Requirements :Tektronics 4010 series graphic terminal or emulator desirable but not essential. Author(s) :C.A. Walsh - based on a BASIC program written by A. Howie. Correspondence Address :Microstructural Physics Group, Cavendish Laboratory, Madingley Road, Cambridge, CB3 0HE, England. Abstract: The program uses the result obtained by Garcia-Molina, Gras-Marti, Howie and Ritchie (J. Phys. C18 (1985) pp5335) to calculate the energy loss of electrons travelling parallel to a planar interface. They obtained an expression for the differential probability dP/(dzdhf), for an electron travelling in the z direction and losing energy hf. The probability of losing energy between hf-dhf/2 and hf+dhf/2 after travelling a distance dz parallel to the interface is given by dP/(dzdhf) x dzdhf. The program also uses this result to calculate the energy loss of electrons incident at an angle to an interface (see Howie, Milne and Walls,(1985) Inst.Phys. Conf. Ser. No. 78: Chapter 4, EMAG'85). The program requires dielectric data for the media on either side of the interface. A limited amount of data is stored inside the program for some materials. Other data can be supplied to the program by data files. --------------------------------------------------------------------------- Title :PTEELS Keywords :EELS,AEM,CTEM,STEM,BACKGROUND,STATISTICS Computer :DEC LSI-11/73 Operating System :RSX-11M-PLUS Programming Language :DEC-FORTRAN IV Hardware Requirements :None Author(s) :Dr. Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides :Bat. 510, F91405 ORSAY CEDEX FRANCE Abstract: We present an unbiased method for the estimation of the background in EELS spectra. It looks for the maximum likelihood of a power law model whose two dependent parameters A and R are estimated together with their variances and covariance. Applying the usual rules of error propagation, core-loss characteristic signals and their variances are estimated. Results can be used as input data for the programs QUANTI and LIMIT which are also provided by the EMMPDL facility. A complete description of the algorithm is given in "Unbiased Method for Signal Estimation in Electron Energy Loss Spectroscopy...", P. TREBBIA, Ultramicroscopy (1988). --------------------------------------------------------------------------- Title :PTETHA Keywords :EELS,STEM,COLLECTION EFFICIENCY,CONVERGENT BEAM Computer :DEC LSI-11/73 Operating System :RSX-11M-PLUS Programming Language :DEC-FORTRAN IV Hardware Requirements :None Author(s) :Dr. Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides :Bat. 510, F91405 ORSAY CEDEX FRANCE Abstract: When EELS spectra are recorded with a convergent beam (STEM case), one has to compute an effective collection angle BETA* which should be used in computing the interaction cross sections, instead of the actual collection angle BETA. This is the job of program ETHA. A complete description of the algorithm is given in "Unbiased Method for Signal Estimation in Electron Energy Loss Spectroscopy...", P. TREBBIA, Ultramicroscopy (1988). --------------------------------------------------------------------------- Title :PTLIMIT Keywords :EELS,EDX,AEM,CTEM,STEM,DETECTION LIMITS,STATISTICS Computer :DEC LSI-11/73 Operating System :RSX-11M-PLUS Programming Language :DEC-FORTRAN IV Hardware Requirements :None Author(s) :Dr. Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides :Bat. 510, F91405 ORSAY CEDEX FRANCE Abstract: When one tries to detect an element with a very small SIGNAL/NOISE ratio, one has to face with two main risks : FIRST KIND RISK : state the element is present when actually it is absent. SECOND KIND RISK : state the element is absent when actually it is present. This program gives for two first kind risks (0.05 and 0.01) and four second kind risks (0.25, 0.10, 0.05 and 0.01) the resulting 8 possible values of minimum SIGNAL and SIGNAL/NOISE ratio. A complete description of the algorithm is given in "Unbiased Method for Signal Estimation in Electron Energy Loss Spectroscopy...", P. TREBBIA, Ultramicroscopy (1988). --------------------------------------------------------------------------- Title :PTQUANTI Keywords :EELS,EDX,AEM,CTEM,STEM,CONCENTRATIONS,STATISTICS Computer :DEC LSI-11/73 Operating System :RSX-11M-PLUS Programming Language :DEC-FORTRAN IV Hardware Requirements :None Author(s) :Dr. Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides :Bat. 510, F91405 ORSAY CEDEX FRANCE Abstract: The purpose of this program is quite general. It can be used not only for the determination of atomic concentrations in EELS experiments, but also, for example, for the determination of weight concentrations in EDX spectroscopy. For given SIGNAL, BACKGROUND, H = 1 + VARIANCE(BACK)/BACKGROUND and F = Interaction-detection yield (in arbitrary units) values, it returns concentrations values, concentration covariances and confidence intervals at three different confidence levels : 0.1, 0.05 and 0.01. A complete description of the algorithm is given in "Unbiased Method for Signal Estimation in Electron Energy Loss Spectroscopy...", P. TREBBIA, Ultramicroscopy (1988). --------------------------------------------------------------------------- Title :PTSELECT Keywords :STATISTICS,MEAN VALUE,SELECTION TEST Computer :DEC LSI-11/73 Operating System :RSX-11M-PLUS Programming Language :DEC-FORTRAN IV Hardware Requirements :None Author(s) :Dr. Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides :Bat. 510, F91405 ORSAY CEDEX FRANCE Abstract: Let us suppose that we obtained N estimations Vi (i=1,N) of a same unknown X. If we know the variance and covariance matrix of the Vi, one can compute the mean value (estimation of X) and the confidence limits of this mean. One can then check whether the Vi are valid measurements or whether one of them (at least) must be removed from the measurement set. This program SELECT is of general purpose and can be used as a valuable substitute to the general method of the "bad-looking" rejection criterion. A complete description of the algorithm is given in "Unbiased Method for Signal Estimation in Electron Energy Loss Spectroscopy...", P. TREBBIA, Ultramicroscopy (1988). --------------------------------------------------------------------------- Title :RWEMMDPL Keywords :XEDS, EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: RWEMMPDL contains two subroutines which read and write spectral data files (XEDS or EELS) in the EMMPDL Version 1.1 data format. The data are stored as simple ASCII characters at a user defined number of columns per line for the length of the data file. The spectral data is preceeded by a series of header lines, which tell the user about the parameters of the spectrum. The header lines are identified by the first character in the line being the symbol (#) followed by a four letter descriptor and if appropriate its units. An example of a data file format can be found in the RWEMMPDL.DOC file. Other examples spectra can be found in the XEDS and EELS subdirectories of the EMMPDL. ------------------------------------------------------------------------------- Title :TRANSPORT Keywords :Optics, Quadropoles, Sextapoles, Bending Magnets, EELS Computer :DEC VAX 11/730-785 Operating System :VAXVMS, Programming Language :Fortran IV Hardware Requirements :None Author(s) :K.L.Brown, F.Rothacker D.C., Carey, Ch. Iselin Correspondence Address :Stanford linear Accelerator Center, Stanford CA. USA :Fermi National Accelerator Lab. Batavia, IL. USA : CERN, Geneva, Switzerland Abstract: Transport is a computer code which calculates charged particle trajectories using first and second-order matrix multiplication methods for the design of static electromagnetic beam-line systems. It has been in existence in various versions since 1963. It is capable of computing a wide range of operating characteristics of electromagnetic systems including Quadrupoles, Sextupoles, Solenoids, Bending Magnets etc. and such can be used to calculate the optics of many EELS systems. Specific instructions on the use of TRANSPORT are extensive and should be obtained from: The Reports Office, Fermi National Accelerator Laboratory, P.O. Box 500, Batavia IL 60510, USA (Ref. NAL-91, "Transport Appendix") ------------------------------------------------------------------------------ Title :NGRAPH Keywords :GRAPHICS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :TEKTRONICS 4010 terminal or an EQUIVALENT emulator Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Abstract: This subroutine library provides graphics functions for Tektronics 4010-1 terminals and/or their emulators. The current terminals supported are: Tektronics 4010-1,4014-1, Lear Siegler ADM-3,ADM-5 (with Retrographics RG-512) Peritek VCG-512 bit map color graphics, Tektronics 4027, HP 7470A/7475A plotters DEC LA100/LA50 printers, Intecolor VT-100 with TEK 4010-1,4014-1, 4027 modes, DEC VT-200 with 4010-1,4014-1 mode, Tektronics 4105/4107 with VT-100 mode, Plessey VT-100/TEK 4010-1, Espirit VT-100/TEK 4010-1, Tektronics 4695 Copier. The computer program NGTEST is a fortran demonstration program which exercises this graphics package. The purpose of this graphics library is to provide a standard set of routine for producing x-y plots of XEDS and EELS data for the analysis programs NEDS, NELS and graphics for plotting CBED patterns. --------------------------------------------------------------------------- Title :NGTEST (Demonstration Program) - Abstract Keywords :GRAPHICS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :TEKTRONICS 4010 terminal or an EQUIVALENT emulator Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Abstract: The computer program NGTEST is a fortran demonstration program which exercises the NGRAPH library package. It demonstrates the symbol plotting, x-y plotting, vector plotting, hardcopy output and cursor control subroutines available in the package. It requires that a file TERMIN.DAT exist on the default storage device named DAT:. A copy of the file TERMIN.dat can be found in the documentation of the NGRAPH routines. --------------------------------------------------------------------------- Title: ATMSCAT Keywords: High Energy Electron Diffraction, Absorption Computer: Any with F77 compiler Operating System: Any Programming Language: Standard Fortran 77 Hardware Requirements: none Author(s): Q. A. King and D. M. Bird Correspondence Address: School of Physics, University of Bath, Bath BA2 7AY, UK. Email: d.bird@gdr.bath.ac.uk (Internet) Abstract: Atom is a subroutine which when passed the name of an element, the length of a g-vector and a Debye-Waller factor will compute and return both the real and absorptive atomic scattering factors, which can then be incorporated into any existing diffraction program. All the data is self-contained within the subroutine, documentation may be found at the head of the subroutine. --------------------------------------------------------------------------- Title: FSCATT Keywords: High Energy Electron Diffraction, Absorption Computer: Any with F77 compiler Operating System: Any Programming Language: Standard Fortran 77 Hardware Requirements: none Author(s): Andreas Weickenmeier Address: Institut fuer Angewandte Physik der TH Hochschulstrasse 6 W-6100 Darmstadt, GERMANY Email: XLTODA6L@DDATHD21.BITNET Abstract: The subroutine FSCATT calculates the real part and the phonon contribution to the absorptive part of the atomic scattering factor for any element from He to Cf. The real part is obtained by a new analytical fit to the tabulated Doyle and Turner (Acta Cryst. A24 (1968) 133 - 139), Doyle and Cowley (Intern. Tables of X-ray Crystallography, Vol. IV (1991) 152 - 174) and Fox and O'Keefe (Acta Cryst. A45 (1989) 786 - 793) values. For the computation of the absorptive part an Einstein model is used. More details can be found in Weickenmeier and Kohl, Acta Cryst. A47 (1991) 590 - 597. Title :DMOTTCS Keywords :Sputtering,Defects,Displacement Damage,EELS,XEDS,HVEM Computer :DEC VAX 11/785 Operating System :VAX/VMS Programming Language :VAX Fortran Hardware Requirements :None Author(s) :Charles R. Bradley Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Abstract: This program calculates differential Mott cross-sections of elemental nuclei in collisions with relativistic electrons. These cross-sections are useful in the study of displacement damage and electron transmission sputtering. For medium and high voltage transmission electron microscopes now available, having clean vacuum systems and high brightness sources, modification of sample composition due to sputtering and/or displacement by the probe will become an important consideration during microanalysis or imaging. Title :RECOIL Keywords :Sputtering,Defects,Displacement Damage,EELS,XEDS,HVEM Computer :DEC VAX 11/785 Operating System :VAX/VMS Programming Language :VAX Fortran Hardware Requirements :None Author(s) :Charles R. Bradley Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Abstract: This program calculates differential Mott cross-sections of elemental nuclei in collisions with relativistic electrons. The cross-sections are output as functions of the nuclear recoil angle and are proportional to the probability that a nucleus will recoil in a given direction. These cross-sections are useful in the study of displacement damage, electron transmission sputtering, electron beam mixing, and recoil implantation. For medium and high voltage transmission electron microscopes now available, having clean vacuum systems and high brightness sources, modification of sample composition due to sputtering and/or displacement by the probe will become an important consideration during microanalysis or imaging. --------------------------------------------------------------------------- Title :TOTCS Keywords :Sputtering,Defects,Displacement Damage,EELS,XEDS,HVEM Computer :DEC VAX 11/785 Operating System :VAX/VMS Programming Language :VAX Fortran V4.0 Hardware Requirements :None Author(s) :Charles R. Bradley Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Abstract: This program calculates displacement cross-sections that are useful in estimating the amount of sputtering and displacement damage due to collisions of relativistic electrons with nuclei in elemental samples. The total displacement cross-section is obtained by evaluating the differential Mott cross-section and numerically integrating over the range of allowed angles. An upper limit for cascade cross-sections is evaluated in version 2.0. For the medium and high voltage electron microscopes now available, having clean vacuum systems and high brightness sources, modification of sample composition due to sputtering and/or displacement by the probe will become an important consideration during microanalysis or imaging. This program allows the analyst to estimate the potential adverse effects on the specimen prior to study in the TEM. --------------------------------------------------------------------------- Title :GIFSTD Keywords :Image Storage Computer :All Computers Operating System :All Computers Programming Language :None Hardware Requirements :None Author(s) :ComputerServe (Information Submitted by M. Disko) Correspondence Address :5000 Arlington Centre Blvd. :Columbus, Ohio 43220 (614) 457-8600 Abstract: A device independent file format for image file storage and transmission is presented. This file format is copyrighted by ComputerServe. Editors Note: It is proposed that this file format be adopted by the EMMPDL for image storage and transmission. ---------------------------------------------------------------------------- Title :HTPSG Keywords :IMAGE PROCESSING, HALFTONE, POSTSCRIPT Computer :VAX Operating System :VMS Programming Language :DEC FORTRAN 77 V4.8 Hardware Requirements :PostScript compatible printer Author(s) :Mark M. Disko Correspondence Address :140 Fairview Avenue :High Bridge, New Jersey 08829 "HTPSG.DOC" - HalfTone PostScript Generic | | | | | This is the routine for you if you would like to display calculated images on a PostScript compatible printer. Data is read in from an ASCII text file. Several dispay options are supported including image box layout, halftone screen type and spacing, text labels, and a micron marker bar. File ICOS128.SRC contains a 128 x 128 pixel image that can be used to demonstrate the output capabilities of HTPSG. --------------------------------------------------------------------------- Title :ICOS128 Keywords :IMAGE PROCESSING, HALFTONE, POSTSCRIPT, ICOSAHEDRAL Computer :VAX Operating System :VMS Programming Language :DEC FORTRAN 77 V4.8 Hardware Requirements :PostScript compatible printer Author(s) :Mark M. Disko Correspondence Address :140 Fairview Avenue :High Bridge, New Jersey 08829 This is a data file for program HTPSG which consists of a 128 x 128 pixel image of the five-fold axis diffraction pattern in the Al-Mn icosahedral phase. Image data is stored with 32 two digit hex values per line. See HTPSG.DOC and HTPSG.SRC for more on the data file format used by program HTPSG for HalfTone PostScript Generic display of images on PostScript equipped display devices. --------------------------------------------------------------------------- Title :IMAGEV103 Keywords :Image Processing Computer :MACII Operating System :Mac Programming Language :Pascal Hardware Requirements :8 bit Video Author(s) :Wayne Rasband Correspondence Address :National Institues of Health :Bldg 36, Room 2A-03, Bethesda, Md.20892 :BITNET:WSR@NIHCU Image is a program for the Macintosh II for doing digital image processing and analysis. It can acquire, enhance, measure, edit, animate, print and pseudo- color images. It reads and writes TIFF and PICT files, providing compatibility with many other Macintosh programs, including ImageStudio, PixelPaint, and Digital Darkroom. It supports many standard image processing functions including histogram equalization, contrast enhancement, density profiling, smoothing, sharpening, edge detection, and noise reduction. It can measure lengths and x-y coordinates, and compute the average density and area of user defined regions of interest. Length and area measurements results can be calibrated to provide real world values. ------------------------------------------------------------------------------- Title :IMAGE114B Keywords :Image Processing Computer :MACII Operating System :Mac Programming Language :Pascal Hardware Requirements :8 bit Video Author(s) :Wayne Rasband Correspondence Address :National Institues of Health :Bldg 36, Room 2A-03, Bethesda, Md.20892 :BITNET:WSR@NIHCU Image is a program for the Macintosh II for doing digital image processing and analysis. It can acquire, enhance, measure, edit, animate, print and pseudo- color images. It reads and writes TIFF and PICT files, providing compatibility with many other Macintosh programs, including ImageStudio, PixelPaint, and Digital Darkroom. It supports many standard image processing functions including histogram equalization, contrast enhancement, density profiling, smoothing, sharpening, edge detection, and noise reduction. It can measure lengths and x-y coordinates, and compute the average density and area of user defined regions of interest. Length and area measurements results can be calibrated to provide real world values. ------------------------------------------------------------------------------- Title :IMAGE125 Keywords :Image Processing Computer :MACII Operating System :Mac Programming Language :Pascal Hardware Requirements :8 bit Video Author(s) :Wayne Rasband Correspondence Address :National Institues of Health :Bldg 36, Room 2A-03, Bethesda, Md.20892 :BITNET:WSR@NIHCU Abstract: Image is a program for the Macintosh II for doing digital image processing and analysis. It can acquire, enhance, measure, edit, animate, print and pseudo- color images. It reads and writes TIFF and PICT files, providing compatibility with many other Macintosh programs, including ImageStudio, PixelPaint, and Digital Darkroom. It supports many standard image processing functions including histogram equalization, contrast enhancement, density profiling, smoothing, sharpening, edge detection, and noise reduction. It can measure lengths and x-y coordinates, and compute the average density and area of user defined regions of interest. Length and area measurements results can be calibrated to provide real world values. EDITORS NOTE: THIS IS A NEW UPDATED VERSION OF IMAGE (FEB.1990) ------------------------------------------------------------------------------- Title :ATMLVL Keywords :XEDS, EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: ATMLVL.DAT is a data file containing all inner shell edge energies for elements in the range of H (Z=1) to FM (Z=100). The table is stored as simple ASCII characters to allow simple access and file transfer. Each element contains 24 entries which correspond to the following shells K, L3, L2, L1, M5, M4, M3, M2, M1, N7, N6, N5, N4, N3, N2, N1, O5, O4, O3, O2, O1, P1, P2, and P3. If an element doesnot have a particuliar edge its energy is listed as zero. The program BATMLVL, which is given in the ATMLVL.SRC file, can be used to create an efficient binary file from this ASCII listing, while the subroutine ELEDGE can be used in a user written program to read the resulting binary file. ------------------------------------------------------------------------------ Title :CLEDX Keywords :EDXS quantitative analysis, Cliff-Lorimer Computer :IBM PC family or clones Operating System :Microsoft DOS 3.x or higher Programming Language :Microsoft FORTRAN Optimizing compiler 4.10 :(large library, math-coprocessor emulator mode) Hardware Requirements :None Author(s) :Pierre TREBBIA Correspondence Address :Laboratoire de Physique des Solides, Bat. 510 :F91405 ORSAY CEDEX FRANCE. :Email : Bitnet address : TREBBIA@FRUPS51 Abstract: From experimental conditions (angles, detection system, primary voltage, line intensities & backgrounds), this program computes the weight & atomic concentrations of up to 20 elements in a thin film X-Ray analysis experiment using the Cliff-Lorimer procedure. An estimation of the confidence intervals on the concentrations, for different first kind risks, is also given. No special hardware is needed (i.e. math coprocessor or graphic monitor). Results can be directed either to a lineprinter or to the screen. From the original COLIJN & ROMIG program PCEDS, several improvements are made concerning both the algorithms (parameterized maximum number of elements to analyse, computation speed, analysis of the results precision) and the accuracy of the formulae and data. Several misprints were also corrected. Reference : "CLEDX : a stand-alone program for quantitative X-Ray analysis of thin films using the Cliff-Lorimer procedure", P. TREBBIA, Ultramicroscopy 27, 343-348 (1989). --------------------------------------------------------------------------- Title :XMAQNT Keywords :quantitative correction, PAP, PROZA, XPP Computer :Any with ANSI-C; tested on IBM-PC, Unix (Sun and HP) Operating System :Any Programming Language :ANSI-C Hardware Requirements :None Author(s) :Cameron Davidson Correspondence Address :CSIRO, Division of Manuf. Technol., P.O Box 883 :Kenmore, 4069, Australia :e-mail (Internet): cjd@brb.dmt.csiro.au Compression Method :ZIP -use 'unzip' or 'pkunzip -d' on MS-DOS, or : 'unzip -a' on Unix. Abstract: XMAQNT is a software package for performing quantitative X-ray microanalysis. It provides: 1. A program to perform PAP, PROZ-A or XPP quantitative corrections on X-ray intensity ratios. 2. a library of basic atomic chemistry and X-ray related utility routines. 3. use of databases for X-ray lines, edges and Mass Absorption coefficients, with the possibility of supporting multiple such databases. 4. utility programs for creating, examining and editing these databases. 5. support for plotting the calculated Phi-Rho-Z curves. (This requires the user to obtain the free plotting package GNUPLOT - available for many different operating systems.) ------------------------------------------------------------ Title :DCJAEMMC Keywords :Monte Carlo Simulations, XEDS Resolution Computer :IBM PC and compatibles Operating System :MS DOS v 2.0 or greater Programming Language :TurboPascal Hardware Requirements :Math Chip Optional but recommended Author(s) :David C. Joy Correspondence Address :University of Tenn :Em Facility, Dept. of Zoology, Knoxville, TN :(615)-974-3638 :BITNET:JOY@UTKVX1 AEMMC - uses a single scattering Monte Carlo model to investigate the spatial resolution of X ray production in thin films. After computing and displaying the electron trajectories the program plots two pieces of data. The first is the cumulative profile of Xray generation in the solid, calibrated in angstroms and the 0% and 90% values are drawn in to enable the value to be measured easily. The second display calculates the Xray signal that would be observed from a thin unit width plane-parallel layer such as a monolayer of some material sandwiched between two grains. ------------------------------------------------------------------------ Title :EMMFF V. 1.0 Keywords :XEDS,EELS,AES,WDS,CLS,GAM,XRF,PES Computer :IBM, MAC, DEC Operating System :ALL Programming Language :Fortran 77 Hardware Requirements :None Author(s) :EMSA/MAS TASK FORCE Ray Egerton ,Charles E. Fiori ,John A. Hunt, Mike S. Isaacson,Earl J. Kirkland ,Nestor J. Zaluzec Correspondence Address :R.F. EGERTON-CHAIRMAN University of Alberta Dept. of Physics Edmonton, Alberta, Canada, T6G2J1 Abstract: A simple format for the exchange of digital spectral data is presented, and proposed as an EMSA/MAS standard. This format is readable by both humans and computers and is suitable for transmission through various electronic networks (BITNET, ARPANET), the phone system (with modems) or on physical computer storage devices (such as floppy disks). The format is not tied to any one computer, programming language or computer operating system. The adoption of a standard format would enable different laboratories to freely exchange spectral data, and would help to standarize data analysis software. If equipment manufacturers were to support a common format, the microscopy and microanalysis community would avoid duplicated effort in writing data-analysis software. This version of EMSAMASFF contains two subroutines which read and write spectral data files Version 1.0 data format. The data are stored as simple ASCII characters at a user defined number of columns per line for the length of the data file. The spectral data is preceeded by a series of header lines, which tell the user about the parameters of the spectrum. The header lines are identified by the first character in the line being the symbol (#) followed by a descriptor and if appropriate its units. An example of a data file format can be found in the EMSAMASFF.DOC file. ------------------------------------------------------------------------------ Title :NEDQNT Keywords :XEDS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: NEDQNT is a quantitative data analysis program which converts relative x-ray intensities (K and L lines only) into composition measurements using the standardless analysis approach. The user can modify the XEDS detector parameters to specify Windowless, UTW or Be configurations of arbitrary thickness as well as perform an iterative absorption correction for thicker samples if the specimen/detector geometry is known. The program also has the capability of calculating relative intensities when the user inputs composition values, allowing the analyst to explore theoritically the expected intensities of samples yet to be analyzed. All necessary subroutines and data tables are included in the source code/documentation. NOTE: THE NEDQNT.SRC FILE CONTAINS ALL NEED DATA FILES INCLUDING TABLES OF X-RAY LINE AND ABSORPTION EDGES THE FILE IS > 7000 LINES LONG AS A RESULT ------------------------------------------------------------------------------ Title :NTRANS Keywords :XEDS, EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: NTRANS is a computer program which translates manufacturers XEDS and EELS spectral data into the EMMPDL data format. It utilies the RWEMMPDL subroutines contained in the EMMPDL. At present this version translates both EDAX and TRACOR-Northern and Link Systems data files. Examples of translated spectra can be found spectra can be found in the XEDS and EELS subdirectories of the EMMPDL. ------------------------------------------------------------------------------- Title PCEDS Keywords AEM, EDS, X-RAY, CLIFF-LORIMER, THIN FILM, XEDS Computer IBM PC/XT/AT, generic MS-DOS machine Operating System MS-DOS Programming Language Microsoft Fortran v3.31 Hardware Needed IBM PC/XT/AT or generic MS-DOS machine, 8087 is optional, 256kB min. Authors A.D. Romig, H.O. Colijn Correspondence Addr. Ohio State University, Central Electron Optics Facility, 042 Fontana Labs, 116 W. 19th Ave. Columbus, OH 43210-1110 (614)292-0674 Abstract: This program will calculate composition of thin foils using the Cliff-Lorimer analysis of x-ray intensities. The inte- grated intensities of the peaks are entered manually and the atomic and weight concentrations are calculated using either empirical or theoretical K-factors. This program will not do spectral processing (i.e. background subtrac- tion or peak deconvolution). Al Romig of Sandia Labs wrote the original version of this program using DEC PDP-11 Fortran. His work is documented in Sandia Labs report number SAND82-2938. Henk Colijn of OSU translated the program to run on an IBM PC using Microsoft Fortran v3.31 and v4.0. Anyone needing the compiled version should contact Henk Colijn at the above address. The accompany- ing PCEDS.DOC file has been formatted to be copied to a generic printer. If you type the file to your CRT screen, you will not be able to read all the lines. --------------------------------------------------------------------------- Title :RWEMMDPL Keywords :XEDS, EELS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: RWEMMPDL contains two subroutines which read and write spectral data files (XEDS or EELS) in the EMMPDL Version 1.1 data format. The data are stored as simple ASCII characters at a user defined number of columns per line for the length of the data file. The spectral data is preceeded by a series of header lines, which tell the user about the parameters of the spectrum. The header lines are identified by the first character in the line being the symbol (#) followed by a four letter descriptor and if appropriate its units. An example of a data file format can be found in the RWEMMPDL.DOC file. Other examples spectra can be found in the XEDS and EELS subdirectories of the EMMPDL. ------------------------------------------------------------------------------- Title :XEDSDETECT Keywords :XEDS Computer :DEC VAX-11/730 - 11/785 or higher series Operating System :VMS Programming Language :Fortran IV Hardware Requirements :NONE Author(s) :Nestor J. Zaluzec Correspondence Address :Electron Microscopy Center, Materials Science, :Argonne Nat. Lab, Argonne, IL. 60439 USA :Email: Zaluzec @ ANLEMC (BITNET) Abstract: BXEDSDETECTis a general program which computes the relative detector efficiency of Si(Li) and HP Ge EDS detector systems. The user inputs as parameters the thickness of the respective detector absorbing layers (Parylene, Al, Be, Au, Dead Layer and Active Layer) as well as the energy range and increment for the calculation. Output is in simple tabular form listing energy and relative efficiency for the chosen parameters. ------------------------------------------------------------------------------ Title :XENRGY Keywords :XEDS Computer :DEC VAX 11/730-785, DEC PDP 11/2-11/73 Operating System :VAXVMS, RT-11 Programming Language :Fortran IV Hardware Requirements :None Author(s) :Nestor J. Zaluzec Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center,Bldg 212 :Materials Science Division, Argonne, Illinois 60439, Abstract: XENRGY.DAT is a data file containing all X-ray Line and Relative Intensity ratios for elements in the range of H (Z=1) to ES (Z=99). The table is stored as simple ASCII characters to allow simple access and file transfer. Each element contains 28 entries which correspond to the following lines KA1, KA2, KB1, KB2, KB3, LA1, LA2, LB1, LB2, LB3, LB4, LB5, LB6, LB7, LB8, LB9, LG1, LG2, LG3, LG4, LG5, LG6, LN, LL, MA1, MA2, MB, MG, If an element doesnot have a particuliar X-ray line its energy is listed as zero. The program BXENRGY, which is given in the XENRGY.SRC file, can be used to create an efficient binary file from this ASCII listing, while the subroutine XENRGY can be used in a user written program to read the resulting binary file. ------------------------------------------------------------------------------ Title: LATTPARM KeyWords: Powder Diffraction, Lattice Parameters Computer: PC, XT, AT Operating System: MS(PC)-DOS Programming Language: TURBO Pascal Hardware: Math Co-Processor desirable Author: Roy Garvey Correspondence Address: Department of Chemistry North Dakota State University Fargo, North Dakota 58105 - 5516 U S A Using the algorithm of Visser (1969), the problem of finding the lattice parameters from powder diffraction data becomes one of finding the six constants, A, B, C, D, E, and F where Q(hkl) = 10**4 / d**2 = hh A + kk B + ll C + kl D + hl D + hk F < 3 > The unknown unit cell so derived will be triclinic. A perfectly general approach to the problem is to first find zones of the lattice (net-planes of the reciprocal lattice containing the origin). Any two such zones will have a line of intersection. If the angle between two such zones is found, a reciprocal lattice is determined. Sometimes this lattice can be reduced (described on symmetry axes in the reciprocal lattice). --------------------------------------------------------------------------- Title: Least Squares Unit Cell Refinement with Indexing on the Personal Computer LSUCRIPC KeyWords: Powder Diffraction, Unit Cell Refinement Computer: PC, XY, AT Operating System: MS(PC)-DOS Programming Language: TURBO Pascal Hardware: 192K memory, 1 diskette drive, math coproc.(recommended) Author: Roy Garvey Correspondence Address: Department of Chemistry North Dakota State University Fargo, ND 58105-5516 Abstract: L S U C R I P C A computer program implementing the procedure of Appleman and Evans (1973) is now available for the IBM-PC. Output of refinement data has been condensed for economy of presentation. For a discussion of methodology, see the USGS-GD-73-003 report number 20 by Appleman and Evans (1973). --------------------------------------------------------------------------- Title BINHEX Keywords ASCII, Hexadecimal, Bitnet Computer IBM PC/XT/AT Operating System MS-DOS Programming Language Turbo Pascal v. 5.0 Hardware Needed IBM PC/XT/AT Author H.O. Colijn Correspondence Addr. Ohio State University, Central Electron Optics Facility 042 Fontana Labs 116 W. 19th Ave. Columbus, OH 43210-1110 (614)292-0674 Abstract: Some computer networks (such as Bitnet) can transmit ASCII files only. Others (such as Internet) require a special facility (i.e. ftp) to transmit binary files, whereas ASCII files can be transmitted easily using the MAIL facilities. While this allows source code to be trans- mitted easily, it is difficult to send executable programs, spectral data files, or archived files. Many word processing programs also use non-ASCII characters to store document formatting information. It is difficult for people to exchange information in the format they desire over computer networks. This program will convert a binary file to and from the hexadecimal equivalents of the binary bytes. That is, each byte in the binary file will be converted into 2 ASCII characters (0-9,A-F) corresponding to the value of the high and low four bits (respectively) of the binary value. Thus, regardless of the contents of the original file, the resulting file is strictly ASCII. Note that this translation doubles the original size of the file since each byte of the binary file is converted into 2 ASCII characters, each requiring one byte. --------------------------------------------------------------------------- Title :HP45 Calculator program (enhanced) V1mod6 Keywords :HREM, Wavelength, Scherzer, Resolution, hex, oct, bin Computer :anything with F77 Operating System :anything with F77 Programming Language :Fortran 77 Hardware Requirements :CPU, terminal Authors :Tony Pitt, Owen Saxton, Graeme Wood, Mike O'Keefe, ... Correspondence Address :MAOK@LBL.BITNET :M.A. O'Keefe, NCEM, LBL 72-213, Berkeley, CA 94720 Abstract: This is a program designed to emulate a scientific calculator operating in reverse polish mode (originally based on a HP45, but now with many enhancements, including binary, hex, and octal numbers, and electron microscope functions like wavelength and resolution). The HELP command provides one-line explanations of each command. Commands are - + - * / SQRT REP SIN COS TAN TYPE DEL PI EXP CLR CUBE SQU REC SWOP SWAP CHS POC ROLL LOG ALOG ASIN ACOS ATAN LN OCT HEX X DISP INT COMS BIN DEC INV DEG RAD D>R R>D EXIT WAVL KV SCH OPT RSCH ROPT STO RCL HELP Title :HP45 Calculator program (enhanced) V1mod7 Keywords :HREM, Wavelength, Scherzer, Resolution, hex, oct, bin Computer :anything with F77 Operating System :anything with F77 Programming Language :Fortran 77 Hardware Requirements :CPU, terminal Authors :Tony Pitt, Owen Saxton, Graeme Wood, Mike O'Keefe, ... Correspondence Address :MAOK@CSA2.LBL.GOV :M.A. O'Keefe, NCEM, LBL 72-213, Berkeley, CA 94720 Abstract: This is a program designed to emulate a scientific calculator operating in reverse polish mode (originally based on a HP45, but now with many enhancements, including binary, hex, and octal numbers, and electron microscope functions like wavelength and resolution). The HELP command provides one-line explanations of each command. Commands are - + - * / SQRT REP SIN COS TAN TYPE DEL PI EXP CLR CUBE SQU REC SWOP SWAP CHS POC ROLL LOG ALOG ASIN ACOS ATAN LN OCT HEX X DISP INT COMS BIN DEC INV DEG RAD D>R R>D EXIT WAVL KV SCH OPT RSCH ROPT LIMD LIMA STO RCL HELP --------------------------------------------------------------------------- Title: MacFAC 1.0 Keywords: multivariate statistics, data analysis, processing, filtering Computer: MacIntosh II family Operating system: system 7 Programming language: THINK C 5.0 Hardware requirements: math co-processor Author(s): Noel BONNET & Pierre TREBBIA Correspondence: Faculte des sciences, Universite de Reims, B.P. 347,F51062 Reims cedex FRANCE. Fax: (33) 26 05 32 50, e-mail: pierre.trebbia@univ-reims.fr Abstract: The purpose of MacFAC is to extract orthogonal sources of information from data (images, spectra,...). See any basic statistic book for more information about multivariate statistics and Factorial Analysis of Correspondence (FAC). MacFAC is given with a test data set in order to let you be sure that it works properly on your own computer. Read the text file READ.ME which is embedded in the file MacFAC.sea.hqx for more information on how the test must be done. ------------------------------------------------------------------------------