Notes on the use of the program GF2 D.C. Radford, April 1989 Atomic Energy of Canada Limited, Chalk River Nuclear Laboratories, Chalk River, Ontario, K0J 1P0, Canada - 1 - CONTENTS ======== 1. INTRODUCTION 2. HOW TO LOAD GF2 3. THE COMMANDS 3.1. FT (FiT spectrum) NF (New Fit) 3.1.1. FT n, n=1-15 NF 3.1.2. FT 3.1.3. FT -1 3.2. AP (Add Peak to fit set-up) 3.3. DP (Delete Peak from fit set-up) 3.4. WM n (select Weight Mode for data) 3.5. FX (FiX parameter(s)) FR (FRee parameter(s)) 3.6. RP (fix or free Relative Positions) RW (fix or free Relative Widths) 3.7. SW (change Starting Width parameters etc.) 3.8. MA (change MArker locations) 3.9. LP (List Parameter values) 3.10. CR (call or display CursoR) 3.11. SP (read new SPectrum) SP/C (read SPectrum from matrix using Cursor) 3.12. DS (Display Spectrum) OV (OVerlay spectrum) 3.13. X0, NX, Y0 and NY (set display limits) XA, YA (set both origin and range for X/Y-axis) 3.14. EX (EXpand display) MU (Move display Up in spectrum) MD (Move display Down in spectrum) RD (ReDraw graphics screen using new display limits) 3.15. DM (Display Markers) DF (Display Fit) 3.16. CO (change COlor map for display) 3.17. PF (set up Peak Find for spectrum display) 3.18. SU (SUm counts between channels) SB (Sum with Background subtraction) 3.19. SC (Set Counts) 3.20. AS (Add Spectrum) AC (Add Counts) 3.21. MS (Multiply Spectrum) DV (Divide Spectrum) 3.22. CT (ConTract spectrum) 3.23. AG (Adjust Gain of spectrum) 3.24. WS (Write Spectrum) 3.25. DU (DUmp program set-up) IN (IN-dump program set-up) 3.26. SA (Store Areas and centroids from fit) 3.27. EC (define Energy Calibration) 3.28. CF (execute/create Command File) 3.29. HE (HElp; i.e. list summary of commands) 3.30. HC (make HardCopy of graphics screen) 3.31. RF (Reset Free parameters) - 2 - 3.32. SF (Store Fit parameters in .GF2 file.) FF (open new .GF2 Fit File) 3.33. EF (Edit Fit parameter (.GF2) file) 3.34. LU (create/modify Look-Up table) 3.35. SL (create/modify SLice input file) 3.36. WI (add WIndow(s) to look-up table or slice file using cursor) 3.37. DW (Display Windows as they are presently defined) 3.38. ME (go to MEnu command mode) 3.39. DE (Divide by Efficiency) 3.40. ST (STop and exit from program) 4. INITIALIZATION FILES 4.1 GFINIT.DAT 4.2 GFINIT.CMD 5. ASSOCIATED PROGRAMS TO PROCESS GF2.STO FILES. 5.1. SOURCE - to create a calibration input (.SIN) file 5.2. ENCAL - to fit an energy calibration 5.3. EFFIT - to fit an efficiency calibration 5.4. ENERGY - to convert centroids to energies, and areas to intensities 5.5. LEGFT - to fit angular distributions or correlations - 3 - 1. INTRODUCTION GF2 is a least-squares peak-fitting program designed primarily for use in analyzing gamma-ray spectra from Germanium detectors. However, it can also be used to analyze other types of spectra, such as those from Si(Li) electron detectors and silicon surface barrier detectors, and under some circumstances may even be used to extract lifetimes from time spectra. GF2 will fit a portion of the spectrum using the sum of up to fifteen peaks on a quadratic background. Each peak is composed of three components: (1) a Gaussian, (2) a skewed Gaussian, and (3) a smoothed step function to increase the background on the low-energy side of the peak. Components (2) and/or (3) can easily be set to zero if not required. Component (1), the Gaussian, is usually the main component of the peak, and in Ge detectors, physically arises from complete charge collection of a photoelectric event in the detector. Component (2), the skewed Gaussian, arises from incomplete charge collection , often due to "trapping" of charge at dislocations in the crystal lattice caused by impurities or neutron damage. If the detector and electronics had infinite resolution, component (1) would be a delta-function and component (2) would yield an exponential tail on the low-energy side. Convolution of this exponential tail with a Gaussian resolution function yields the functional form: y = constant * EXP( (x-c)/beta ) * ERFC( (x-c)/(SQRT(2)*sigma) + sigma/(SQRT(2)*beta) ) where ERFC is the complement of the error function, x is the channel number, c and sigma are the centroid and standard deviation of the Gaussian in component (1), and beta is the decay constant of the exponential. Beta now corresponds to the "skewedness" of the skewed Gaussian. Component (3) arises mainly from Compton scattering of photons INTO the detector and from escape of photoelectrons from the Ge crystal, which result in a slightly higher background on the low-energy side of the peak. The functional form used in GF2 is: y = constant * ERFC( (x-c)/(SQRT(2)*sigma) ) which is produced by the convolution of a step function with a Gaussian of width sigma. Fig. 1 illustrates these three components, and how they each go to make up the total peak shape. The parameters chosen for the purposes of this display are as listed in the figure. When you first enter the program GF2, you will obtain on your terminal the listing shown in Fig. 2 (unless you have defined the file(s) GFINIT.DAT and/or GFINIT.CMD, see later). This describes very briefly the parameters that may be fitted, and how the program obtains initial estimates for each of them. When both R and Beta are allowed to vary during a fit, component (2) will usually greatly increase the uncertainties calculated for the peak areas. This is because there is a large cross-correlation, between the heights of components (1) and (2), which is not properly taken into account in the calculation of the uncertainties. Since, if Beta is unknown, the relative height of the skewed Gaussian is not generally well-determined by the fit, the large uncertainty in the relative heights yields a large - 4 - uncertainty in the area. If, however, at least one of the parameters R and Beta can be fixed at some reasonable or previously determined value, then the quoted error on the area is usually reliable. For this reason, and for the purpose of consistency, it is suggested that at the start of the analysis of a series of spectra, at least one preliminary pass be made in the analysis of a source calibration spectrum, to determine a set of shape parameters R, Beta and Step which describe the peak shapes well, as a function of channel number. Experience shows that Beta and Step do not seem to vary appreciably with gamma-ray energy, and R can usually be approximated by a straight line (or combination of two straight lines, one at low energies and the other at higher energies) as a function of channel number. These values can then be entered as the initial estimates, and one or more of the parameters fixed, on entering the program. Initial estimates may also be entered from within the program by typing the command SP-1, or by using the initialization file GFINIT.DAT (see section 4 below). An example of a fit to a Ge detector using GF2 is given in Fig. 3. The limits of the fit are shown as the vertical lines from the x-axis to the spectrum, and the vertical arrows with numbers below them are peak position markers. The difference between the data and the fit (in counts per channel) is shown halfway between the spectrum and the x-axis. The vertical offset is added to the difference to separate it from the x-axis for reasons of visibility. 2. HOW TO LOAD GF2 In order to run GF2, one should log on to a Tektronix or Modgraph terminal, under the account containing the spectrum files to be analysed. These files may be written in the special GF2 format (-.SPE, which contain one spectrum per file), or in the ORNL -.SPK or the Chalk River -.MAT and -.SPN formats. Once you become familiar with GF2, you will probably want to create one of the two initialization files GFINIT.DAT or GFINIT.CMD. The operation of these files is described in section 4. For now, however, let us assume that neither of these files exist on your account. When you are ready to run the program, simply type GF2. You will then be presented with the listing given in Fig. 2. I would suggest that in experimenting with the program, you begin with Gaussian shaped peaks only; that is, in response to the questions in Fig. 2, you should answer 0 Y 2 (for example; the answer must be greater than zero, but is otherwise irrelevant) Y 0 Y (or specify a better estimate if you have one) N Y (it is often a good idea to fix the relative peak widths; see section 3.6 below.) - 5 - 3. THE COMMANDS GF2 is designed to be user-friendly, in that it is as self-prompting and self-documenting as possible. Commands are entered as a two-character command word, possibly followed by an optional filename, a number, or a series of up to three numbers. Any additional information required to execute the command is requested by the program. It is usually possible to exit gracefully from such a prompt by typing a Carriage Return (), if you decide not to execute the command after all. The space following the two-character command, separating it from any parameters, is optional. Also, delimiters between integer parameters may generally be either spaces or commas. A list of available commands is given in Fig. 4. This list can be obtained on the screen by typing HE SUM, or on the lineprinter by typing HE/P. 3.1. FT (FiT spectrum) NF (New Fit) Before typing these commands, you should first display on the screen the portion of the spectrum which you wish to fit. The command has three slightly different functions, depending on whether it is followed by an integer that is: (a) greater than zero, (b) nonexistant (or zero), or (c) -1. These are discussed in sections 3.1.1 to 3.1.3 respectively. 3.1.1. FT n, n=1-15 NF When the command FT is followed by an integer between one and fifteen, this integer is taken to be the number of peaks required in the fit, and the program will proceed to set up for a new fit. You will be prompted with "Limits for fit? (hit T to type)", and the cursor will appear on the screen. You may then enter the boundaries of the spectrum region you wish to fit by positioning the cursor at the required channels and typing any character other than T (e.g. the mouse button or the space bar), once for each limit. The prompt "Peak positions? (hit T to type, R to restart)" will then appear, and you should respond by using the cursor to give an approximate position for each peak. If there are limit channels or peak positions that you would like to have given a special value, you may type the character T in response to the cursor when asked for that position; you will then be prompted to type the value. Limits should be given as integers, but peak positions may be real numbers. If you wish to restart the limit and/or peak position definition, type R at one of the peak positions; the program will then return to requesting the fit limits. The NF command is equivalent to the FT n command except that you do not have to specify the number of peaks that you wish to fit. You just choose the fit limits and then indicate the peak locations until you have entered as many peaks as you wish (up to the maximum of 15). Then, type X or hit the third mouse button and the fit will proceed as described below. - 6 - The parameters of the fit will then be written on the screen, together with the "parameter number" that identifies it. An asterisk in place of the parameter number will denote any parameter that is already fixed at its initial estimate; that is, will not be varied in the chi-squared minimization. You will be prompted to type the name or number of any (additional) parameters that you wish to fix, one per line. Each time you fix a parameter, you will also be asked for the value you wish it to be fixed to. to this question indicates that the parameter should remain at its current value (in this case, at the initial estimate). Note that you may fix any parameter you wish, by giving either its number or its name (e.g. 7 or P1). In addition, you may fix the RELATIVE widths and/or peak positions by responding with RW ("Relative Widths") or RP ("Relative Positions"). In this way you may fix as many parameters as you wish, provided that at least two are left to vary in the fit. When you have finished fixing parameters, or if you do not wish to fix any, type . You will then be prompted for a maximum number of iterations to be performed. If the fitting algorithm has not converged before this number of iterations has been completed, the fit will be aborted. If you are unhappy with the way the parameters or markers have been set up (e.g. if you would like to fit more peaks, or free parameters etc.), answer 0 to this question, and no iterations will be performed. A in response to the prompt will select the default of 50 as the maximum number of iterations. Once you have defined the maximum number of iterations, the fit will begin. When the fit has been completed such information as the limits, number of peaks and iterations, and chi-square will be listed on the terminal. Provided that the fit converged, these data will also be written to the print file. You will then be asked if you wish to type and/or print the parameters; that is, have a listing of the parameter values sent to the screen and/or print file. This print file is labelled GF2.OUT, and may be saved, deleted, or printed and then deleted, on exiting the program. 3.1.2. FT If you type simply FT, without a following number, the program will return to the point where it asks you for the maximum number of iterations, and then proceeds to do the fitting with the present parameter values as the new initial estimates. This command is used, for example, when the fit has previously failed to converge, or you have read in a new spectrum. 3.1.3. FT -1 FT -1 has the same effect as the above (FT), except that before the fitting is begun the non-fixed parameters will first be reset to their original initial estimates. 3.2. AP (Add Peak to fit set-up) If you have a fit set up, but wish to add a peak to this fit, use the command AP. You will be prompted for the position of the new peak. The width of the new peak will be set to its initial starting value, so if the widths are free, but relative widths fixed, you will be given the option of reseting all non-fixed widths to their initial values also. If the new peak is not higher in energy than the previous last peak, you may also select to re-order the peaks in order of increasing energy. 3.3. DP (Delete Peak from fit set-up) Use this command to delete a peak from a fit you have set up, if you wish to have fewer peaks. If you do not provide the number of the peak you want deleted, the program will prompt you for it. - 7 - 3.4. WM n (select Weight Mode for data) This command lets you select the algorithm to be used in determining the weight to be applied to each channel in the fit. The integer n is by default one, so that the standard deviation assigned to the counts in a given channel is taken as the result of the fit, as calculated using the current parameter values for each iteration. This option removes excessive weighting of channels which have lower counts because of statistical fluctuations, and is generally to be preferred. If n is given as 2, the standard deviation is taken as the square root of the number of counts in the data itself. The third option, n = 3, is used in fitting a subtracted spectrum. Let us suppose, for example, that you are fitting a spectrum A, which is computed by subtracting a spectrum C, multiplied by a factor x, from spectrum B. That is, counts(A) = counts(B) - x * counts(C) then sigma**2(A) = sigma**2(B) + x**2 * sigma**2(C) = counts(B) + x**2 * counts(C) Thus the correct weighting spectrum may be obtained by computing a fourth spectrum which is the sum of B and x**2 times C, and weighting according to (the square root of) the counts in this fourth spectrum. After typing WM 3 you will be asked for the filename of this weighting spectrum. 3.5. FX (FiX parameter(s)) FR (FRee parameter(s)) These commands are used to fix or free (i.e. unfix) additional parameters, or to change the values of parameters already fixed. If the command is not followed by a parameter name or number, the parameters will be listed, with asterisks indicating any fixed parameters, and you will be asked which parameters you wish to fix or free. If you wish to fix or free just one parameter, you may do so by typing the name or number of that parameter following the command. For FX, you will also be asked for the fixed parameter value. to this question indicates that the parameter should remain at its current value. In addition, you may fix or free the RELATIVE widths and/or peak positions by giving RW ("Relative Widths") or RP ("Relative Positions") as the parameter name. You may fix as many parameters as you wish, provided that at least two independent parameters are left to vary in the fit. See also section 3.6 below. 3.6. RP (fix or free Relative Positions) RW (fix or free Relative Widths) RP [0] and RP 1 fix and free, respectively, the relative peak positions, for those peaks whose position is not fixed. Similarly, RW [0] and RW 1 fix and free, respectively, the relative peak widths, for those peaks whose width is not fixed. As noted in 3.5 above, the same effect may be achieved using the FX and FR commands, with RP or RW as a parameter name. Fixing the relative positions and/or widths is very useful in analyzing a series of spectra for which there may be slight gain shifts, so that the peaks may move slightly in absolute position but have a constant spacing. Fixing the relative widths from the start of a fit also has the effect of fitting one common width to all peaks in the fitted region. This is usually an excellent approximation, and has the additional advantage of decreasing the uncertainties on the peak areas, especially for weak peaks. - 8 - 3.7. SW (change Starting Width parameters etc.) This command may be used to change the parameters defining the starting FWHM of the peaks, and whether the absolute and relative widths are fixed by default. After the starting width has been changed, you will be asked if you wish to reset the free parameters to their new initial estimates. 3.8. MA (change MArker locations) The MA command is used to change the limits for the fit and/or the peak positions. If followed by an integer N, it will be assumed that you wish to change only one marker. Here N = 1 and 2 for the lower and upper limits, respectively, and N = n+2 for the position of peak number n. If there is no integer on the command line, you will be asked if you wish to change the limits and/or peak positions, at which time you will be prompted with the cursor for the new positions. Again, you may hit T to type specific values. After the markers have been changed, you will be asked if you wish to reset the free parameters to their new initial estimates. 3.9. LP (List Parameter values) This command simply causes all the present limits, peak position markers and parameter values to be listed on the terminal screen. 3.10. CR (call or display CursoR) This command causes the cursor to be called. By positioning the cursor and typing any character other than X (e.g. a space, or the mouse button), the coordinates of any point in the presently displayed axes may be determined. The counts in the channel corresponding to the x-coordinate is also given, and if a calibration is defined, the energy is listed as well. X typed in response to the cursor will exit from this routine. CR followed by an integer will cause a marker to be displayed in the channel corresponding to that integer, and the counts and energy for that channel to be listed. 3.11. SP (read new SPectrum) SP/C (read SPectrum from matrix using Cursor) This command is used to read a new spectrum from a disk file into the program's memory. The default extension for spectrum filenames is .SPE, which corresponds to the standard GF2 format. The CRL version can also read spectra from ORNL .SPK files, and from Chalk River style .MAT and .SPN files. For these latter formats, you need to specify the filename extension. If the last spectrum you read was from a .SPK, .MAT or .SPN file, and you wish to read a different spectrum from that same file, there is no need to retype the filename; simply give the number(s) corresponding to the desired spectrum or range of y-channels. In these cases, the program will read from the last file opened. SP/C (SPectrum using Cursor) will assume that you are reading from, or intend to read from, a matrix (.MAT) file. The cursor will be called, and you can use it to enter two gate limits from previously displayed spectra. If the last spectrum was not read from a matrix, you will then be prompted for the matrix file name. The command SP-1 will cause the program to return to giving the listings in Fig. 2, so that you can change the initial estimates of, or by default fix or free, the parameters R, Beta and Step. SP-1 will have this effect regardless of whether you previously used the file GFINIT.DAT or GFINIT.CMD to initialize these parameters. You can also type SP-2 to re-execute the file GFINIT.DAT and/or GFINIT.CMD. - 9 - 3.12. DS (Display Spectrum) OV (OVerlay spectrum) The commands DS and OV are used to display the current spectrum on the graphics screen. By default, the whole of the screen will be used to display the part of the spectrum between channel limits previously defined using the X0 and NX, or EX, commands. However, by following the command with up to three integers, you may select a certain portion of the screen for the display, and/or display the entire spectrum. In general, DS n m will select the nth of m parts of the screen for the display, while a trailing 1 displays the entire spectrum. Thus DS 1, for example, will display the entire spectrum on the whole of the screen. DS 1 4 will display the selected portion of the spectrum in the lowest fourth of the screen, while DS 2 3 1 will display the entire spectrum in the middle third. It should be noted that in versions of GF2 6.2 or higher, the command DS causes the graphics screen to be cleared before the spectrum is displayed. The command OV, which does not clear the screen, was added to allow different spectra or portions of spectra to be displayed simultaneously. OV accepts the same integer arguments as DS, so that the spectra may be either overlapped or drawn on different parts of the screen. Allowing the command DS to reinitialize the graphics screen was necessary to allow EX, MU, MD and RD to redraw all displayed spectra when changing the x-axis display limits. The last display drawn is always considered to be the current display for the purposes of the cursor, summing of counts, etc. An example of a spectrum display (with fit and markers) is given in Fig. 3. 3.13. X0, NX, Y0 and NY (set display limits) XA, YA (set both origin and range for X/Y-axis) These commands may be used to set the X-axis (channels) and Y-axis (counts) origins and scales for the spectrum display. In addition, NY 0 (or NX 0) will select autoscaling of the Y-axis (or X-axis) to the largest number of counts per channel in the displayed spectrum segment, and NY-1, NY-2 and NY-3 select a linear, square-root or logarithmic Y-axis, respectively. When the program is first entered, an autoscaled linear Y-axis is in effect by default. Both parameters (origin and number of channels or counts) for either axis can be changed with the commands XA and YA. 3.14. EX (EXpand display) MU (Move display Up in spectrum) MD (Move display Down in spectrum) RD (ReDraw graphics screen using new display limits) The lower and upper limits of the X-axis (channels) may also be changed by using the EX, MU and MD commands. To change both limits, type EX. The cursor will be called, and you must position it and reply with a character, once for each of the lower and upper limits. You may enter them in either order. To change only the lower limit, and leave the number of displayed channels unchanged, use MU (Move Up) or MD (Move Down). You will be asked to provide either the new lower limit or new upper limit using the cursor. If you wish to redraw the graphics screen for any reason, you may also use the RD (ReDraw) command. For example, if you have displayed a set of several gamma-gamma gates on different parts of the screen, and now wish to see a different range of channels, you may use the X0 and NX commands to select the range and then redisplay by typing RD. If you wish to view the entire x-range, you may type RD 1; this will autoscale the x-axis. You can then go back to the previous x-axis display limits using RD, or expand on another region. For all these commands, ALL spectra displayed since the last DS command will be redrawn, using the same new x-axis limits. The Y-axis (or -axes) will be left unchanged, except possibly in the case of autoscaling. The screen will be automatically cleared before the display is redrawn. - 10 - 3.15. DM (Display Markers) DF (Display Fit) These commands simply display the marker positions and fit, as currently defined, on top of the most recent display of the spectrum. An example of a spectrum displayed with fit and markers is given in Fig. 3. The limits of the fit are shown as the vertical lines from the x-axis to the spectrum, and the vertical arrows with numbers below them are peak position markers. The difference between the data and the fit (in counts per channel) is shown halfway between the spectrum and the x-axis. The vertical offset is added to the difference to separate it from the x-axis for reasons of visibility. 3.16. CO (change COlor map for display) The program uses a "color map" to display spectra in different colors according to the value of the parameter I in the DS command. Thus, for example, DS 1 4 will display the spectrum in color 1, DS 3 5 in color 3, etc. In order to overlay spectra in the same region but in different colors, use the CO command to change the color map. The old map will be listed, and the new map requested. You need provide only those values you wish to change; the other values will remain at their old values. See also section 3.12 on the commands DS (Display Spectrum) and OV (OVerlay spectrum). 3.17. PF (set up Peak Find for spectrum display) You may use this command to set up a peak find routine to list the energy (or channel) of significant peaks when you display spectra. The energy or channel is given above a marker on the screen, indicating the position of the found peak. Parameters requested by the program are: FWHM : an estimate of the width (in channels) of the peaks in the region of the spectrum that you wish to display, SIGMA : a threshold for the peak find in standard deviations, and % : a threshold for listing of the peak in percent height of the strongest peak found. 3.18. SU (SUm counts between channels) SB (Sum with Background subtraction) The commands SU and SB may be used to sum over a range of channels, with and without background subtraction, respectively. By default, the cursor will be called up, and you use it to enter the channel limits, in either order. For SB, the subtracted background is taken as the straight line joining the positions of the horizontal cross-hair at the two limiting channels. In each case, the centroid and area are computed. You may also sum over a selected range of channels by entering the command SU , where and are the limiting channel numbers. This form of the command does not require the current spectrum to be displayed on the screen. 3.19. SC (Set Counts) This command enables the user to alter the counts per channel over a selected range of the current spectrum, by specifying the required contents. This may be done either through the cursor or by typing the desired value. If the spectrum is displayed, the cursor will be called up repeatedly. Each pair of entries through the cursor specifies a straight line between the cross-hair positions; the spectrum counts will be set to correspond to this line. To exit from the SC routine, simply type X. If, at either cursor entry, you type the character T (for Type), you will asked to type limiting channel numbers and the required counts per channel for that range. - 11 - 3.20. AS (Add Spectrum) AC (Add Counts) The command AS x will add another spectrum, multiplied by the arbitrary normalization factor x, to the current spectrum. The program will prompt for the filename ( or I.D.) of the spectrum to be added. The command AC x will add x counts per channel to the current spectrum. For both commands, if the parameter x is omitted, the program will prompt for it. 3.21. MS (Multiply Spectrum) DV (Divide Spectrum) The command MS x will multiply the current spectrum by the factor x. The command MS will multiply the current spectrum by the contents of the spectrum specified by . The command DV will divide the current spectrum by the contents of the spectrum specified by . 3.22. CT n (ConTract spectrum by factor n) This command contracts the current spectrum by the integer factor n. Channels 0 through n-1 will be summed into channel 0, etc. The number of channels in the spectrum will also be divided by n. If an energy calibration is defined, you are given the option of selecting a new calibration calculated to correspond to the new (contracted) spectrum. 3.23. AG (Adjust Gain of spectrum) The command AG adjusts the energy dispersion of the current spectrum by applying a linear transformation to the position of each channel. It can be used, for example, to match the gains of spectra from different detectors. The program will prompt for four channel numbers, OLDCH1, OLDCH2, NEWCH1 and NEWCH2. These numbers define the linear transformation, and should be real numbers or integers separated by commas. The gain and offset of the current spectrum will be adjusted so that if there had been peaks centered at channels OLDCH1 and OLDCH2, those peaks will now be centered at NEWCH1 and NEWCH2, respectively. The transformation applied is: x' = A + B*x, where x is the channel number, B = (OLDCH2-OLDCH1)/(NEWCH2-NEWCH1) and A = OLDCH2 - B*NEWCH2. The inversion of spectra, i.e. a negative value of B,is not allowed. The user is warned that, since the adjustment may require the contents of one channel to be divided between two or more channels in the new spectrum, multiple uses of the AG command have the effect of "smoothing" the spectrum, and should hence generally be avoided. 3.24. WS (Write Spectrum) This command writes the current spectrum to a disk file. If the file name is omitted from the command line, the program will prompt for it. You will also be asked for a spectrum name, or title, which will be written to the file along with the data. The output file always has the default extension .SPE. Note that GF2 cannot write to .SPK, .MAT or .SPN files. - 12 - 3.25. DU (DUmp program set-up) IN (IN-dump program set-up) These commands are used to dump (write) and in-dump (read) the current GF2 status to and from disk files. The default extension for GF2 dump files is .DMP. All relevant information is stored in these files, including: i) the current parameters for the fit, and which parameters are fixed; ii) the specified initial estimates for R, BETA, STEP and peak FWHM; iii) the display parameters (X0, NX, Y0, NY etc, and the CO and PF values); iv) the energy calibration; and v) any fitted areas and centroids that have been saved using the SA command, but not yet written to disk (see section 3.26). These data are always written to the dump file; however, when reading the file (in-dumping), you will be given the option of reading them from disk or disregarding them, thus leaving the current stored areas and centroids unchanged. The only things not stored and restored are the spectrum itself, and the "weight" spectrum, if any. Dump files are very useful, since they save fits for later reference, use and/or improvement. For example, during the analysis of a series of spectra, it is often a good idea to fit the sum of all the spectra initially, followed by individual fits to each spectrum with the (relative or absolute) positions and widths fixed from the fit to the sum spectrum. Dump files may then be used to verify that the proposed fit is satisfactory for all of the individual spectra. The series of individual fits may be done using a command file; see section 3.28. 3.26. SA (Store Areas and centroids from fit) This command may be used to build a file of peak centroids and areas for later analysis, using for example the programs SOURCE, ENCAL, EFFIT, ENERGY, RDMFIT and/or LEGFT; see appendix. When you have a satisfactory fit to a spectrum segment, and wish to store the areas and centroids, type SA followed by an integer in the range 1 to 20. This will save the areas and centroids in the program's memory, but not yet write them to disk. You may then fit the same peaks in a second and third, etc., spectrum, up to a maximum of twenty, saving the areas and centroids each time by using a different integer after the SA command. Once all required spectra have been fitted and the results saved, type SA-1 to write all of the saved data to the disk file GF2.STO. If this file exists, the new data will be appended to the end of it; otherwise, a new file will be created. The numbers used in the previous SA commands will also appear in the file, to help identify the respective spectra. This procedure, of not writing the results to disk immediately following the fit, is followed to allow a re-ordering of the data in the GF2.STO file. It is usually advantageous to have the results for all spectra listed together for each peak (rather than all peaks together for each spectrum). However, it does have the disadvantage of requiring an additional command to write the spectra to disk, so that even if only one spectrum is being analysed, the results must be saved using the TWO commands SA 1 and SA -1. - 13 - 3.27. EC (define Energy Calibration) An energy calibration for the current spectrum may be defined, modified or removed using the command EC. When followed by the name of a file, the command causes the calibration to be taken from the ENCAL output file specified by this filename. See the appendix for a description of the program ENCAL. The default extension for ENCAL files is .CAL. If the command is not followed by a filename, the program will ask if you wish to have a calibration. If so, the current calibration parameters for the calibration will be listed, and you are given the option of modifying them, by either typing the new values or reading them from a .CAL file. When typing the numbers by hand, you are limited to at most a quadratic calibration (i.e. three terms); however, calibrations from a .CAL file may be up to a fifth-order polynomial. 3.28. CF (execute/create Command File) Batch processing of sets of commands within GF2 is achieved through the use of the command CF to execute command files. The default extension for these files is .CMD. They may be written using the system editor utility, and can include any valid GF2 commands. Be sure, however, to include valid responses to any prompts or questions the program may ask, since while the command file is being executed, it will replace the keyboard as the source of all user responses, with the exception of those involving the graphics cursor. If the program reads a command it does not recognize, you will be informed of this and asked if you wish to continue with the file execution. If you put CF CHK (Command File CHecK) as a command entry in your file, execution will be interrupted at that point, and you will be given the option of continuing or stopping execution. This may be used, for example, to verify the quality of fits while the command file is being used to automate the fitting of a series of related spectra. If you elect to stop the execution of the file, you may resume at the same point in the same file at a later time by typing the command CF CON (Command File CONtinue). In addition, the graphics screen may be cleared from within the command file by use of the command CF ERA (Command File ERAse). You may create command files directly in GF2, without using the system editor, by typing CF LOG. This will cause all typed commands and responses to be logged to a new command file, with a filename specified by you. You may enter the commands CF CHK and CF ERA into the file simply by typing them, and the commands CF END, CF filename and CF LOG will all close the new file. NOTE that these last commands will also be entered into the file, and executed when the file is called. 3.29. HE (HElp; list and describe commands etc.) The command HE or HE TOPics lists the topics with help information available in GF2, and prompts for a topic to be explored. The command HE SUMmary causes a summary of the valid GF2 commands to be listed on the terminal screen. The command HE/P causes the same listing to be printed on the lineprinter. This listing is reproduced in Fig. 4. 3.30. HC (make HardCopy of graphics screen) This command may be used only for the Grinnell screen at NBI or for a Vax workstation running VWS/UIS windows and DEC LN03 laser printer. 3.31. RF (Reset Free parameters) RF causes the non-fixed parameters to be reset to their original initial estimates. - 14 - 3.32. SF [FN] (Store Fit parameters in .GF2 file.) FF [FN] (open new .GF2 Fit File) (FN = new file name) The SF command is used to save fit parameters in .GF2 files, for later use by the program MATFIT. After fitting a number of peaks, you can save the parameters for (a segment of) the fit by typing SF [FN]. GF2 will ask for new limits if you have fitted more than six peaks, and it may warn you when there is a peak overlapping the upper limit. You can only save up to six peaks per region, so large fits must be stored as several segments. The segments must also be at most 128 channels wide. (NOTE: The previous filename (FN) is the default filename.) To open a new .GF2 fit file use the FF command then use SF to write your data to this file. 3.33. EF [FN] (Edit Fit parameter (.GF2) file) (FN = new file name) This is a simple editor that allows you to List, Print and/or Delete fit segments from a .GF2 file. Only the limits of the segment, and the peak positions are listed; however, all parameters of the fit are saved in the .GF2 file. 3.34. LU [FN] (create/modify Look-Up table) (FN = file name) This command allows the user to create a look-up file of numerically labeled regions (gates), that can be used in tape replay tasks (e.g. MATLUHK, MATTRIP, and MATBGO). Windows can be added to the file, or overwritten, through the use of the command WI. If the file FN does not exist, a new look-up table, initially containing only zeroes, is created. If it does exist, the user is allowed the option of reading and modifying it. 3.35. SL [FN] (create/modify SLice input file) (FN = file name ) This command allows the user to create a gate file for use by the program SLICE, to "slice", or set gates on, 2-dimensional matrices. Windows can be added through the use of the command WI. If the file FN does not exist, a new (empty) file will be created. If it does exist, the user is allowed the option of reading and adding to it. Windows saved to the file specify both the upper and lower limits, and a peak-to-total ratio. The user specifies the background used to calculate this ratio by the vertical position of the cursor when adding windows. 3.36. WI (add WIndow(s) to look-up table or slice file using cursor) Adds a window to the currently defined file (Look-up or Slice). The cursor is called, and is used to specify the upper and lower limits of each window. For each window,in LU mode, the user is also asked for a look-up value to be inserted in the table for the appropriate range of channels. In SLice mode, the y position of the cursor is used to define a background for the gate, used to calculate the peak-to-total ratio. 3.37. DW (Display Windows as they are presently defined) Displays the ranges and window labels of the currently defined window file (either SLice or Look-Up). For SLice files, a background calculated from the stored peak-to-total ratio is also displayed. 3.38. ME (go to MEnu command mode) Switches from Command mode to Menu mode in GF2MENU version of the program. - 15 - 3.39. DE (Divide by Efficiency) Divides the current spectrum by a detector efficiency. The parameters defining this efficiency should have been stored in an .EFF file from program EFFIT. See also HElp EFFit. 3.40. ST (STop and exit from program) After checking that you do indeed wish to stop program execution, this command will cause the program to offer you the choice of having the print output file GF2.OUT either printed and then deleted, saved for later use, or simply deleted. Execution of the program will then be terminated. - 16 - 4. INITIALIZATION FILES The current version of GF2 supports two types of initialization files, GFINIT.DAT and GFINIT.CMD. On start-up of the program, GF2 searches for these two files on the default disk directory. If either file is found, the listing discussed in sections 1 and 2 above, and shown in Fig. 2, is not given by the program. Instead, the relevant initialization data and options are read from the file GFINIT.DAT and/or assumed to be provided by execution of the command file GFINIT.CMD. The operation of these files is discussed in more detail below. 4.1 GFINIT.DAT If the file GFINIT.DAT exists on the default disk directory, it is read to provide answers to the questions asked in Fig. 2. There must be at least two lines, the first containing the values A, B, C, D and E (format 5F8.0) and the second containing ones and zeroes to specify whether the parameters R, Beta and Step are by default free or fixed, respectively (format 3I5). Optional third and fouth lines may specify the parameterization of the starting width (format 3F8.0), and ones or zeroes to specify whether the absolute and relative widths are by default to be free or fixed, respectively (format 2I5). An example of a GFINIT.DAT file is given in Fig. 5(a). This example specifies initial estimates of the parameters R, Beta and Step such that the fitted peaks have purely Gaussian shape, with no step function increasing the background below the peaks, and also specifies that these parameters are by default always fixed. The initialization provided by this example is equivalent to that given by the answers quoted in section 2. If both files GFINIT.DAT and GFINIT.CMD exist, GFINIT.DAT is first read, as above, and then the command file GFINIT.CMD is executed. NOTE that if an in-dump is performed by GFINIT.CMD, the initial estimates specified in GFINIT.DAT are replaced by those of the dump file; see section 3.25. 4.2 GFINIT.CMD If the file GFINIT.CMD exists on the default disk directory, it is treated as a command file and executed on entry to the program. It is up to the user to ensure that the program receives all the required initialization data, either by providing a GFINIT.DAT file as well, or by having GFINIT.CMD in-dump a specified -.DMP file created earlier. The file GFINIT.CMD may contain any valid GF2 commands. An example of a GFINIT.CMD file is given in Fig. 5(b). This example uses initial estimates of the parameters R, Beta, Step and starting FWHM stored in a disk file GFINIT.DMP, and also reads in a spectrum and displays it, etc. If both files GFINIT.DAT and GFINIT.CMD exist, GFINIT.DAT is first read, as above, and then the command file GFINIT.CMD is executed. NOTE that if an in-dump is performed by GFINIT.CMD, the initial estimates specified in GFINIT.DAT are replaced by those of the dump file; see section 3.25. - 17 - 5. ASSOCIATED PROGRAMS TO PROCESS GF2.STO FILES. The programs SOURCE, ENCAL, EFFIT, ENERGY and LEGFT form a package designed to analyse GF2.STO files. The first three of these are used to analyse files from the fitting of source spectra, to determine the efficiency and energy calibrations of detectors. ENERGY will then process a file from the fitting of one or more other spectra (e.g., in-beam spectra) to calculate the energies and/or relative intensities of the gamma rays from the stored centroids and areas, using the calibrations derived from ENCAL and EFFIT. LEGFT fits angular distributions of gamma rays, and uses the output files of ENERGY as input, with some extra lines added at the top of the file with a text editor to provide angles and normalizations, etc. These five programs are described in more detail in sections 5.1 to 5.5 below. Some default filename extensions for files used by these and other programs associated with GF2 are listed in Table 1. 5.1. SOURCE - to create a calibration input (.SIN) file This program combines a GF2.STO file, from the analysis of a source spectrum, with a data file containing the energies and relative intensities of the source gamma rays (default filename extension .SOU). It thereby creates a file to be used for input to the programs ENCAL and EFFIT (default filename extension .SIN). An example of a source data file for Eu-152 (file EU152.SOU) is listed as Fig. 6. Before running SOURCE, the GF2.STO file should be edited so that the lines match one-to-one with the lines in the source data file. If the .SOU file includes gamma rays which you have not fitted, insert a blank line. The program will then ignore those lines in both files. All lines in the .STO file corresponding to contaminant gamma rays, or lines not included in the .SOU file, should of course be deleted. When you run SOURCE, the program will prompt you for the name of the GF2.STO file (so that you may rename such files as you create them), the name of the (.SOU) source data file, and a name for the new (.SIN) file to be created. It will also ask for a title, which is written to the new file and read by ENCAL and EFFIT. 5.2. ENCAL - to fit an energy calibration ENCAL uses the output files from SOURCE (.SIN files) as its input. It will ask you for the name of this file, read in the data, and perform polynomial fits to the energy calibration. The order of the fitted polynomial may be from one (i.e. a linear fit) to five. You are given the option of writing the fitted parameters to a disk file (default filename extension .CAL), which may then be used to input the energy calibration conveniently to programs such as GF2 and ENERGY. When you exit from ENCAL, the results of all fits will be listed on the lineprinter. 5.3. EFFIT - to fit an efficiency calibration EFFIT is, in many ways, similar to GF2 in architecture. The command HE will again generate a listing of commands; this listing is reproduced in Fig. 7. Input data is taken from (.SIN) files generated by SOURCE, and several such files may be read and combined using normalisation factors. An example of a fit to the efficiency calibration of a coaxial Ge detector is given in Fig. 8. This calibration was obtained using Eu-152 and Ba-133 sources. - 18 - If you wish to fit the data in more than one .SIN file simultaneously, read in the first file as you enter the program, or using the command ND (New Data). Fit that data as best you can using the FT (FiT) command, and then use the AD (Add Data) command to add the data in the second file. The efficiencies calculated from the data in this second file will be listed, together with the ratio of the present fit (i.e. from the first file) to these new values. The program will then prompt for a normalization factor. If you have absolute source intensities, you may calculate the normalization from those. Otherwise, take the average of several of the listed ratios, for energies which overlap well with the data in the first file, to obtain an empirical normalization. You may then fit the combined data of the two files and add a third data set, etc, as required. The seven parameters of the calibration that may be fitted are labelled A through G. A, B and C describe the efficiency at low energies, so that on a log-log plot the efficiency curve is A + B*x + C*x*x, i.e. log(eff.) = A + B*log(EG/E1) + C*{log(EG/E1)}**2 at low energies. Similarly, D, E and F describe the efficiency at high energies, log(eff.) = D + E*log(EG/E2) + F*{log(EG/E2)}**2 at high energies. Here EG is the gamma-ray energy, and the constants E1 and E2 have the values 100 keV and 1 MeV, respectively. The parameter C is in general not required, and is by default fixed to zero. G is an interaction parameter between the two regions; the larger G is, the sharper will be the turnover at the top, between the two curves. If the efficiency turns over gently, G will be small. The complete functional form for the efficiency is: eff. = EXP{ [ (A+B*x+C*x*x)**(-G) + (D+E*y+F*y*y)**(-G) ]**(-1/G) }, where x = log(EG/E1) and y = log(EG/E2). Experience shows that, unless there is a good reason to do otherwise, the parameter C should usually be left fixed to zero. In addition, many gamma-ray sources do not provide enough data points at low energy to unambiguously determine both B and G, so that at least one of these parameters may also have to be fixed before beginning the fit. If more data that better defines the turnover region is added later, B and/or G may then be freed. Typical values for B and G, for coaxial Ge detectors, are of the order 1 and 20, respectively. When you have obtained a satisfactory fit to your data, use the WP (Write Parameters) command to store the parameters in a disk file (default filename extension .EFF). This file may later be used to input the efficiency calibration to ENERGY, to convert peak areas to relative intensities. - 19 - 5.4. ENERGY - to convert centroids to energies, and areas to intensities This program was written to process GF2.STO files, calculating the gamma-ray energies and/or relative intensities from the stored centroids and areas. To do this, it takes the energy and efficiency calibrations from .CAL and .EFF files, created by ENCAL and EFFIT. When you run ENERGY, you will be asked for the name of the .STO file you wish to process, for a name for the resultant output file (default filename extension .ENG), and for the name of the (.CAL) energy calibration file. Then you will be asked for the number of lines in the input file for each peak you fitted. This will be the number of spectra that you analysed, provided that you followed each fit with the command SA n (n = 1-20), followed by SA -1 after the fit to the last spectrum. In this way, all values will be stored on consecutive lines for each peak (see section 3.26), and ENERGY will also be able to calculate the AVERAGE centroid and energy. This format must be followed when generating input files for LEGFT and RDMFIT. You will also be given the option of dividing the areas by the efficiency values, to obtain relative intensities. If you so choose, you will then be prompted for the name of the (.EFF) efficiency calibration file. 5.5. LEGFT - to fit angular distributions or correlations Before running LEGFT, you must first create an input file (default filename extension .ENG) by running ENERGY on a GF2.STO file. In addition, you will need to edit this (.ENG) file to add four or five lines of additional data at the beginning. These lines should contain: Line 1 (Format I): NT = number of angles in the data set, up to a maximum of ten. Line 2 (Format 10F10.0): ANGLE(I), I=1 to NT; angles, in degrees, corresponding to the stored areas (intensities) in the order in which they appear in the file. Line 3 (Format 10F10.0): WNORM(I), I=1 to NT; normalization values for each angle. These may be taken, for example, from the areas of peaks in a normalization detector. For each angle, the area (intensity) will be divided by this value before the fit to the angular distribution is performed. Line 4 (Format 10F10.0): ENORM(I), I=1 to NT; uncertainties on the normalization values WNORM(I) of line 3. Line 5 (Format 10F10.0): THICK(I), I=1 to NT; (relative) thickness of the target backing and/or target chamber material at each angle. This last line is optional, and may be used to provide a correction for gamma-ray absorption as a function of angle. If you do not wish to use this correction, insert a blank line as line 5. If you do wish to use it, you will also need to provide a value for the gamma-ray attenuation per unit of thickness for each peak. This should be added at the end of each line beginning "EGAMMA = ..." (Format F10.5). For transitions where no value is given, the attenuation is taken as zero. - 20 - A partial listing of such an edited file is given in Fig. 9. When LEGFT is run, it will ask for the name of your input file. For each peak in the file, LEGFT will divide the areas or intensities by WNORM(I), and correct for attenuation by dividing by [1.0 - (attenuation value)]**THICK(I). Two fits to the data as a function of angle are then performed. These use the functional forms W(theta) = A0 + A2*P2(cos(theta)) and W(theta) = A0 + A2*P2(cos(theta)) + A4*P4(cos(theta)), respectively. The program generates an output file named LEGFT.OUT, which contains a detailed description of the data and fits. In addition, a briefer summary of the results is printed on the lineprinter; since LEGFT.OUT can be quite long, it is not printed automatically. Table 1. ======== Default Filename Extensions for GF2 and Associated Programs. ------------------------------------------------------------------------ Default File Created Used .EXT Description by(1) by(1) ------------------------------------------------------------------------ .SPE Spectrum files (Special GF2 GF2 GF2 format) STATFT STATFT SLICE SLICE MATFIT SUBBGMAT .DMP GF2 dump files GF2 GF2 .STO Stored areas and centroids GF2 SOURCE from GF2 ENERGY COMBINE .CMD Command files GF2 GF2 editor .CAL Energy Calibrations ENCAL GF2 STATFT MATFIT .SOU Source energy and intensity (editor) SOURCE data files .SIN Combined data from .STO and .SOU SOURCE EFFIT files ENCAL .EFF Efficiency calibration EFFIT GF2 parameter files ENERGY MATFIT SUBBGMAT .ENG ENERGY output files; a list ENERGY LEGFT(2) of gamma energies and RDM(2) intensities. May be the final RDMFIT(2) result of analysis. DIVIDE .RDM RDMFIT dump files RDMFIT RDMFIT .RSP Detector response function files UNFOLD UNFOLD .TAB Look-up table files GF2 replay .WIN SLICE window files GF2 SLICE .GF2 Fit parameter files GF2 MATFIT Table 1 continued. Default Filename Extensions for GF2 and Associated Programs. ------------------------------------------------------------------------ Default File Created Used .EXT Description by(1) by(1) ------------------------------------------------------------------------ .MAT 4096 x 4096 channel matrices replay GF2 SLICE MATFIT SUBBGMAT .SPN Spin orientation results replay GF2 .SPK Spectrum files replay,etc. GF2 (ORNL format) NOTES: (1) UNFOLD is a superset of GF2. Therefore, any files created and/or used by GF2 may also be created and/or used by UNFOLD. (2) Editing required before use by these programs. Fig. 1. The components of the peaks fitted by GF2. ------------------------------------------------------------------------- Copy the file RADWARE:GFFIG1.HLP to a TEKTRONIX-type graphics terminal to generate a copy of Fig. 1. ------------------------------------------------------------------------- Fig. 2. The listing generated by starting GF2. WELCOME TO GF2 This is a program to fit portions of spectra with up to fifteen peaks on a quadratic background. The fitted parameters are : A,B and C : Background = A + B*X + C*X*X where X is the channel number minus an offset. R,BETA and STEP : These define the shape of the peaks. The peak is the sum of a gaussian of height H*(1-R/100) and a skew gaussian of height H*R/100, where BETA is the decay constant of the skew gaussian (in channels). STEP is the relative height (in % of the peak height) of a smoothed step function which increases the background below each peak. Pn,Wn AND Hn : The position (centroid of the non-skew gaussian), width and height of the nth peak. Initial estimates of A,B and C are taken to give a straight line between the limits for the fit. Initial estimates for Pn and Hn are taken from the given peak positions ( Hn = counts at peak position - background ) Initial estimate for R is taken as R = A + B*X (X = ch. no.) Enter A,B (rtn for default: A=10., B=0.)>0.0 Do you want always to fix R at this value? (Y/N)>Y Initial estimate for BETA is taken as BETA = C + D*X (X = ch. no.) Enter C,D (rtn for default: BETA = st. width/2)>2 Do you want always to fix BETA at this value? (Y/N)>Y Initial estimate for STEP is taken as STEP = E Enter E (rtn for default: STEP = 0.25)>0 Do you want always to fix STEP at this value? (Y/N)>Y Initial estimates for the fitted peak widths are taken as: FWHM = SQRT(F*F + G*G*x + H*H*x*x) (x = ch. no. /1000) Default values are: F = 3.00, G = 2.00, H = 0.00 Enter F,G,H (rtn for default values)> Do you want all widths to be fixed by default? (Y/N)>N Do you want the relative widths to be fixed by default? (Y/N)>Y or 0 as an answer to any (Y/N) question is equivalent to N 1 as an answer to any (Y/N) question is equivalent to Y The default extension for all spectrum file names is .SPE Type HE to type a list of available commands, HE/P to print a list of available commands. D. C. Radford April 1989. Spectrum file or ID = ?>TEST Sp. BA126 4096 chs read. ?> Fig. 3. An example of a spectrum and fit displayed by GF2. ------------------------------------------------------------------------- Copy the file RADWARE:GFFIG3.HLP to a TEKTRONIX-type graphics terminal to generate a copy of Fig. 3. ------------------------------------------------------------------------- Fig. 4. Valid GF2 commands. Commands available: NF set-up a new fit for an arbitrary number of peaks (<16) and do fit FT [N] N=1-15 : set-up for N peaks and do fit [N=0] : do fit using present parameter values N=-1 : recalculate initial parameter estimates and do fit AP add a new peak to the fit set-up DP [N] delete a peak [peak no. N] from the fit set-up WM [N] change weighting mode (i.e. data error bars) N=1/2/3 : weight with fit / data / another spectrum RF reset free parameters to their original estimates FX [P] fix additional parameters [par. P] or change fixed value(s) FR [P,Q..] free additional parameters [pars. P,Q..] RP N free (N=1) or fix (N=0) relative peak positions to present values RW N free (N=1) or fix (N=0) relative widths SW change starting FWHM parameters, etc. MA [N] change limits for fit and/or peak positions [N=1-17 : change marker no. N] DM display markers DF display fit for present parameter values LP list parameter values SA N N=1-20 : store fitted centroids and areas as one of 20 data sets N=-1 : write stored values to disk file GF2.STO SP FN read in new spectrum (FN = file name or ID) [ SP-1 asks for new initial estimates etc for R, Beta, Step ] SP/C read in new spectrum from matrix, using Cursor to enter limits DS [I,J[,K]] display spectrum [in Ith of J parts of screen ] [ I,J=1,0 or K=1 : display whole spectrum ] OV [I,J[,K]] overlay spectrum (i.e. no erase) [I,J,K as for DS] X0 N X-axis lower limit (chs) = N NX N N>0 : range of X-axis (chs) = N N=0 : autoscaling of X-axis to display entire spectrum Y0 N Y-axis lower limit (counts) = N NY N N>0 : range of y-axis (counts) = N N=0 : autoscaling of Y-axis to largest counts/ch. N=-1/-2/-3 : linear / square-root / logarithmic Y-axis XA set both origin (X0) and range (NX) for X-axis YA set both origin (Y0) and range (NY) for Y-axis EX expand display using cursor MU move display up in spectrum using cursor MD move display down in spectrum using cursor RD [1] clear and redraw graphics display, [redraw and display all channels of spectra] CO [N1,N2...] Change color map [ to N1,N2... ] CR [N] call cursor (hit X to exit) [ display cursor at ch. N ] HC generate hardcopy of graphics screen PF set up peak search to be done on sp. display (for display purposes only) SU [I,J] sum between two channels using cursor [ chs I to J ] SB sum between channels, subtracting background SC set counts per ch. using cursor AS X add another spectrum to current sp. (X = mult. factor) AC X add X counts to each channel in spectrum MS X multiply spectrum by factor X MS FN multiply spectrum by another sp. (FN = file name) DV FN divide spectrum by another spectrum (FN = file name) Fig. 4 (continued). Valid GF2 commands. AG adjust gain of spectrum CT N contract spectrum by factor N WS FN write spectrum to disk (FN = file name) DU FN dump parameters, markers etc to disk (FN = file name) IN FN indump parameters etc from disk (FN = file name) EC define / change / delete energy calibration EC FN take calibration from ENCAL par. file (FN = file name) CF FN take commands from disk command file (FN = file name) CF CHK : check whether to proceed with command file CF END : end of command file CF CON : continue with present command file CF LOG : log all typed input to create a new command file (Use CF END to close new file.) SF [FN] store parameters for fit segment in .GF2 file [ FN = file name for new file ] FF [FN] open a new .GF2 fit file EF [FN] edit fit parameter (.GF2) file [ FN = file name for new file ] LU [FN] create look-up table file (FN = file name) SL [FN] create slice input file (FN = file name) WI add window(s) to look-up table or slice file using cursor DW display windows as they are presently defined ME go to menu mode (get commands from menus) DE divide sp. by det. effic. (from an EFFIT.STO file) HE type list of commands and other help topics HE/P send this output to the lineprinter HE on-line help on command or topic (2 or 3 letters needed) ST stop and exit from program Fig. 5. Examples of files GFINIT.DAT and GFINIT.CMD. ------------------------------------------------------------ 5(a) GFINIT.DAT. ------------------------------------------------------------ 0.0,0.0,0.0,0.0,0.0 ; <-- A,B,C,D,E for GF2 initialisation. 0,0,0 ; <-- 0/1 for R,BETA,STEP fixed/free. 3.0,2.0,0.0 ; <-- F,G,H for GF2 initialisation (starting widths). 1,0 ; <-- 0/1 for absolute widths, relative widths fixed/free. ; File GFINIT.DAT to initialize program GF2. ; This version will set the initial estimates to fit non-skew gaussians ; only. The parameter STEP is also by default fixed to zero. ; For new GF2 version 6.1 ; D.C.Radford June 1989. ------------------------------------------------------------ 5(b) GFINIT.CMD ------------------------------------------------------------ IN GFINIT.DMP Y Y SP GFINIT DS 1 2 DF LP EC Y N CF END This is an example of a GFINIT.CMD initialisation file for GF2. It indumps file GFINIT.DMP, reads and displays spectrum GFINIT.SPE. It also lists the energy calibration and fit parameters, etc. D.C.Radford 1989 Fig. 6. File EU152.SOU. 121.7830 .0020 13620. 160. 244.6920 .0020 3590. 60. 295.9390 .0080 211. 5. 344.2760 .0040 12750. 90. 367.7890 .0050 405. 8. 411.1150 .0050 1070. 10. 443.9760 .0050 1480. 20. 488.6610 .0390 195. 2. 564.0210 .0080 236. 5. 586.2940 .0060 220. 5. 678.5780 .0030 221. 4. 688.6780 .0060 400. 8. 778.9030 .0060 6190. 80. 867.3880 .0080 1990. 40. 964.1310 .0090 6920. 90. 1005.2790 .0170 310. 7. 1089.7000 .0150 820. 10. 1109.1800 .0120 88. 2. 1112.1160 .0170 6490. 90. 1212.9500 .0120 670. 8. 1299.1240 .0120 780. 10. 1408.0110 .0140 10000. 30. --------------------------------------------------------------------------- Fig. 7. Valid EFFIT commands. COMMANDS AVAILABLE: FT fit using present initial parameter values FT -1 recalculate initial estimates and restart fit FX [N] fix additional parameters [par. no. N] or change fixed value(s) FR [N] free additional pars. [par. no. N] DF display fit for present par. values LP list parameter values ND FN get new data (FN = file name) AD FN get additional data points from file FN DE delete data points from data set DD display data points X0 N X-axis lower limit (energy) = N NX N range of X-axis (energy) = N Y0 N Y-axis lower limit (efficiency) = N NY N N > 0 : range of Y-axis (efficiency) = N N = -1/-2/-3 : linear / square-root / logarithmic Y-axis EX expand display using cursor CR call cursor (hit X to exit) WP FN write parameter values to disk (FN = file name ) MD X multiply efficiency values by factor X HE[/P] send this output to the terminal [ lineprinter ] ST stop and exit from program Fig. 8. An example of efficiency data and fit displayed by EFFIT. ------------------------------------------------------------------------- Copy the file RADWARE:GFFIG8.HLP to a TEKTRONIX-type graphics terminal to generate a copy of Fig. 8. ------------------------------------------------------------------------- Fig. 9. A sample LEGFT input file. 5, 0.0,30.0,45.0,60.0,89.77 20.08,20.56,29.88,32.50,37.28 0.09, 0.09, 0.10, 0.15, 0.15 0.707,0.1,0.0,0.1,0.707 1 1541.8900 0.0433 23757. 322. 770.8505 0.0217 SPEC1 88- 2 1541.6540 0.0449 24124. 328. 770.7324 0.0225 SPEC2 88- 3 1541.5760 0.0374 35686. 396. 770.6934 0.0187 SPEC3 88- 4 1541.9510 0.0356 37839. 415. 770.8810 0.0178 SPEC4 88- 5 1541.4770 0.0317 42753. 428. 770.6439 0.0159 SPEC5 88- MEAN ENERGY = 770.7506 +- 0.0084 EFFIC. = 1.0000 0.02 1 1265.2770 0.0269 37791. 379. 632.4996 0.0135 SPEC1 88- 2 1264.9470 0.0267 39310. 382. 632.3346 0.0134 SPEC2 88- 3 1265.0450 0.0229 56457. 464. 632.3836 0.0115 SPEC3 88- 4 1264.6000 0.1057 58813. 1087. 632.1611 0.0529 SPEC4 88- 5 1264.1570 0.0744 66694. 1082. 631.9395 0.0372 SPEC5 88- MEAN ENERGY = 632.3819 +- 0.0071 EFFIC. = 1.0000 0.03 1 925.7334 0.0141 57846. 387. 462.7063 0.0070 SPEC1 88- 2 925.2917 0.0139 58423. 385. 462.4854 0.0069 SPEC2 88- 3 925.2290 0.0119 86203. 472. 462.4541 0.0059 SPEC3 88- 4 924.5291 0.0115 93683. 491. 462.1041 0.0057 SPEC4 88- 5 922.6731 0.0106 107952. 513. 461.1762 0.0053 SPEC5 88- MEAN ENERGY = 462.0808 +- 0.0027 EFFIC. = 1.0000 0.04 1 519.7688 0.0120 81450. 455. 259.7777 0.0060 SPEC1 88- 2 515.7795 0.0090 83719. 438. 257.7842 0.0045 SPEC2 88- 3 515.1851 0.0076 120481. 539. 257.4871 0.0038 SPEC3 88- 4 513.6318 0.0067 134651. 585. 256.7109 0.0033 SPEC4 88- 5 512.7583 0.0057 155369. 622. 256.2744 0.0028 SPEC5 88- MEAN ENERGY = 257.0963 +- 0.0017 EFFIC. = 1.0000 0.10