20 Commands Available: ALG ALN ALO BAN BAS BIG BPO CAE CAF CAL CAS CLE CLS CON CUR DCL DER DET DIE DIV EDI EMU EXP FAX FFT GAX HAX HEL HMU IFT INT INV LOG MAT MOV MPA MUL NRM PLO PLT PMU POW PPL RAI REC SAV SBF SEG SET SHI SMD SMO STD STF STO SWA ZFI For help on a particular command enter HEL CCC where CCC is the three character command. Program overview : This program is for plotting and manipulation of EPR data. Commands generally have the format CCC A1 A2 A3. Where CCC is a three letter command and A1, A2 and A3 are arguments, which can be either character (eg. a filename) or numeric, depending on the command. Internally the program holds data in "channels" which are referred to by number, each holding an individual data set (EPR spectrum). Examples of valid commands are : CAL 1 MYFILE.DAT (calls data from a file to channel 1) DER 2 (calculates the derivitive of the data in channel 2) ALG 7 Format: ALG N1 N2 Aligns data in channel N1 with that in N2 on a g-value scale. No points are changed or interpolated, microwave frequency, field set and scan range, however, are changed. eg. ALG 1 2 (aligns channel 1 with channel 2) ALN 7 Format: ALN N1 N2 Aligns data in channel N1 with that in N2. If the data are misaligned initially then the points in channel N1 are interpolated to the field positions of the data in N2. eg. ALN 1 2 (aligns channel 1 with channel 2) ALO 3 Format: ALO N Takes anti-log (exponential) of the data in channel N. BAN 7 Format: BAN N Baseline and Normalise command - vertically shifts the data in channel N so that equal areas are above and below the baseline, and then normalises the data. eg. BAN 1 BAS 6 Format: BAS N Baseline command - vertically shifts the data contained in channel N so that equal areas are above and below the baseline. eg. BAS 1 BIG 4 Format: BIG N This command returns the value of the maximum amplitude of the data in channel N. BPO 5 Format: BPO N Baseline polynomial - Subtracts a piecewise cubic spline from the data in channel N. The spline points are defined using the cursors, hitting the SPACE bar exits. CAE 5 Format: CAE N FILE.DAT Calls up data saved in a file to channel N. The file format must be written with the GPLOT format. This is the same as the CAL command except that all read errors are ignored. CAF19 Format: CAF N FILE.DAT N1 N2 N3 N4 Calls up data saved in a formatted (ASCII) file to channel N. Two different formats can be read - if N1 is unspecified or is >0 then the file format is assumed to consist of X and Y coordinates in sequence from the low field to the high field of the spectrum. This is the same as the EXAFS "data file" format. The data points are interpolated to N1 equally spaced points, if N1 is not specified, or set to zero, then N1 will default to the number of points in the file. The parameters are not read apart from field set and scan range. If N1 is set to -1 then the alternative format is used. In this case data is read as a single column of Y coordinates, X coordinates being assumed to be equally spaced. If N1 is set to -2 then interpolation is skipped. For both formats the input parameter N2 specifies the number of records (eg. header) that will be skipped at the beginning of the file. If unspecified N2 will default to zero. N3 and N4 indicate the x and y columns to be read in from the file, if unspecified then these default to 1 and 2 respectively. CAL 4 Format: CAL N FILE.DAT Calls up data saved in a file to channel N. The file format must be written with the GPLOT format. CAS10 Format: CAS N M FILE.* I or CAS N M FILE.DAT;* I Calls a series of files from version number N to M onto channels I to I+M-N+1. If N were 2 and M were 7 then the wildcard position (*) will vary from 002 to 007. If I is not specified then this is set to 1. eg. CAS 2 4 D30AUG89.* 3 This would call the data from D30AUG89.002, D30AUG89.003 & D30AUG89.004 to channels 3, 4 and 5 respectively. CLE 3 Format: CLE N This clears the data from channel N. CLS 3 Format: CLS This clears the screen. CON10 Format: CON N M This contracts the scan range for the data in channel N by a factor M, cubic interpolation between points keeps the number of points constant. If M is greater than 1 then the data is expanded. eg. CON 2 0.5 This would contract the scan range of the data in channel 2 to half the original. CUR21 Format: CUR N This calls the cursors onto the screen. Before using the cursors you should make sure that the required data is displayed on the screen (use PLO N if necessary). There are several different functions available in cursor mode, these are controlled by single key presses :- Key Function --------------------------------------------------------------------------- G or ? Displays current cursor positions, g-values and separations from last X and Y markers. X or M Places an X marker onto the display. Y Places a Y marker onto the display I Double integrates spectrum between the current x-cursor position and the last X marker. J Integrates spectrum between the current x and last X marker. E Expands the region between the current x-cursor position and the last X marker. C Clears all data between the current x-cursor position and the last X marker. This result is repeated over channels N to N+2. It is useful in Fourier filtering (note. series termination effects can be minimised if you filter between nodes). DCL 9 Format: DCL CCC This spawns a subprocess to execute the VMS command CCC. If CCC is unspecified then the process will be attached to VMS. Examples: DCL NEWSIM Would run the simulation program NEWSIM. DCL RUN DUA1:[ABCDE]MYPROG Would run the program in MYPROG.EXE DCL Would spawn to VMS. DER 4 Format: DER N This will calculate the derivative of data on channel N, the result ending up in channel N. DET 3 Format: DET N This prints the details of data on channel N. DIE 3 Format: DIE This stops the program. DIV 5 Format: DIV N1 N2 This divides the data in channel N1 by a constant N2. eg. MUL 1 10 - would reduce amplitude of the data on channel 1 by ten. EDI 8 Format: EDI N This allows the data in channel N to be edited using the cursors, before entering the EDI be sure that the channle N is displayed on the screen (use PLO N if necessary). The x-cursor should be positioned nearest to the data point that is to be changed and the y-cursor moved to the desired new position for that data point. The data point will be changed upon hitting the C key. To exit from cursor mode hit the SPACE key. EMU 6 Format: EMU N1 N2 Exponential multiplier - for manipulation of Fourier transforms. The transform data on channel N1 is multiplied by the exponential specified by N2 (EXP(N2*X)). Note that both real and imaginary parts should have the same operations performed upon them. EXP 4 Format: EXP N1 N2 Multiplies the data in channel N1 by EXP(N2*X). Note that the EMU command should be used to manipulate Fourier transforms. FAX 6 Format: FAX N This plots a magnetic field scale along the bottom of the screen for channel N (same as HAX). If N1 is 0 or unspecified then the axis will be drawn along the bottom of the screen, or if N1 is 1 then it will be drawn at the top. FFT15 Format: FFT N1 N2 N3 This calculates a Fast Fourier Transform, input and output organised in channels N1, N2 and N3 as follows : Input : N1 - Real Part, N2 - Imaginary Part, N3 - Not used Output: N1 - Power Spectrum, N2 - Real Part, N3 - Imaginary part. eg. If channel 1 contains data, and channels 2 and 3 contain nothing, then the FFT can be calculated by typing "FFT 1 2 3" or just "FFT" (the default channels are 1, 2 and 3). The transform can then be manipulated with the CUR, PMU or EMU commands, and the backtransform then calculated by simply typing "IFT 3 2 1" (note that the use of FFT to calculate a backtransform - ie. FFT 3 2 1 - will work correctly, except that the field set will be restored to half the scan range). GAX 5 Format: GAX N N1 This plots a g-value scale along the bottom of the screen for channel N. If N1 is 0 or unspecified the axis will be drawn along the bottom of the screen, or if N1 is 1 then it will be drawn at the top. HAX 6 Format: HAX N This plots a magnetic field scale along the bottom of the screen for channel N (same as FAX). If N1 is 0 or unspecified the axis will be drawn along the bottom of the screen, or if N1 is 1 then it will be drawn at the top. HEL 4 Format: HEL CCC This provides help for command CCC. You have just used this command. For a program overview type HEL without specifying the command. HMU 7 Format: HMU N N2 This multiplies the magnetic field points for the data on channel N by a factor N2. It is useful for (approximately) calibrating spectra with wide scan ranges, where the field is more accurately determined at low values (H->0G) than at higher values. The factor N2 is simply the ratio of the measured and the true g for a standard (eg. pitch, DPPH, etc.). IFT10 Format: IFT N1 N2 N3 This calculates an inverse Fast Fourier Transform. Input and output are organised in channels N1, N2 and N3 as follows : Input : N1 - Real Part, N2 - Imaginary Part, N3 - Not used Output: N1 - Power Spectrum, N2 - Real Part, N3 - Imaginary part. The IFT command should really only be used after an FFT, and with the opposite order of arguments. For example, after doing "FFT 1 2 3" then doing "IFT 3 2 1" would be correct (see help on FFT). INT 4 Format: INT N This calculates the integral of data in channel N, the result ending up in channel N. INV 3 Format: INV N This calculates the inverse of the data in channel N. LOG 3 Format: LOG N This calculates the natural logarithm of the data in channel N. MAT 3 Format: MAT This calls the calculator utility routine MOV 3 Format: MOV N1 N2 This moves data and parameters from channel N1 to channel N2. MPA 3 Format: MPA N1 N2 This moves parameters from channel N1 to N2, data remains unchanged. MUL 5 Format: MUL N1 N2 This multiplies the data in channel N1 by a constant N2. eg. MUL 1 10 - would blow up the data on channel 1 by ten. NRM 3 Format: NRM N This normalises the data on channel N. PLO 3 Format: PLO N This plots the data on channel N onto the screen at full scale. PLT 4 Format: PLT This plots all channels currently selected for default display onto the screen (see SET TRA). PMU 4 Format: PMU N1 N2 This multiplies the data on channel N1 by X**N2. Note that this command is only appropriate for manipulating Fourier transforms. POW 4 Format: POW N1 N2 This multiplies the data on channel N1 by X**N2. Note that this command is NOT appropriate for manipulating Fourier transforms. PPL13 Format: PPL N1 N2 This plots channels N1 to N2 in a "neat" manner with the option of a dump to a HP7475 (DEC LVP16) plotter. The data to be plotted should be alligned (with ALG) if need be. On the first PPL command the program will ask for an output route. The response to this can be either a device name (eg. TTC3:, or TT), a filename (eg. OUTPUT.PPL) or a logical name associated with either a device name or a filename. If output to the terminal is required (as would be the case with an HP plotter in eavesdrop mode) then the user should respond TT). Relative vertical displacement of traces, line type and pen number is prompted for. eg. PPL 1 3 - Plots data on channels 1 to 3 RAI 6 Format: RAI N1 N2 This adds a constant N2 to the data in channel N1. It has the effect of raising/lowering spectra displayed. eg. RAI 1 0.4 - adds 0.4 to all data points on channel 1 REC 7 Format: REC N1 N2 This recovers the contents of the channels N1 through N2 from a set of files created by the SAV command. If N1 and N2 are not specified then a recovery of data for all channels will be attempted (from 1 to 30). eg. REC 1 8 - will recover channels 1 to 8 SAV 9 Format: SAV N1 N2 This saves the contents of the channels N1 through N2 to a sequential set of files called GPLOT_SAV.* where the extension is the channel number. If N1 and N2 are not specified then all channels are saved (from 1 to 30). SAV is useful when a session is to be shut down and resumed later. The command to recover SAVed data is REC. eg. SAV 1 8 - will save channels 1 to 8 in GPLOT_SAV.001 to .008 SBF 6 Format: SBF N N1 N2 This subtracts a fraction N of the data in channel N1 from that in channel N2. eg. SBF 0.2 2 1 would subtract 0.2 of channel 2 from 1. SEG 7 Format: SEG N N1 N2 This extracts a segment of the data in channel N, between the X-range N1 and N2. Points higher than N2 or lower than N1 are thrown away. eg. SEG 1 3020 3095 - Keeps only the data between 3020 G and 3095 for channel 1. SET21 Format: SET CCC ... This is a multipurpose command, used to set various program attributes. The nature of the input depends on CCC. Command Action SET COL N1 N2 N3 N4 Sets current GPLOT device colour map. SET DET N1 Sets details of channel N1 SET DEV N1 Changes the GPLOT device to device number N1 SET INK N1 N2 Sets GPLOT device ink for channel N1 to N2 SET MOD N1 Sets autoplot to overplot (N1=0) or stack (N1=1) SET PLT Turns on/off autoplotting. SET PLO AXI N1 N2 Controls PPL axis scale - the field scale is calculated according to F=H/N1, and the g-scale to G=N2*Freq./H where H is the magnetic field. Defaults for N1 and N2 are 10 (ie. F in mT) and 714.485. SET PLO LAB C1 C2 Sets PPL field and g-value axis labels to C1 & C2 SET PNT N1 N2 Interpolates No. of points on channel N1 to N2 SET PPL N1 Sets the hardcopy (plotter) plot device to no. N1 SET TRA N1 N2 Sets Autoplot mode to display channels N1 to N2. SHI 5 Format: SHI N1 N2 This shifts the data on channel N1 by N2 Gauss, points are interpolated. eg. SHI 1 -10.5 - Shifts the data on channel 1 by -10.5 G SMD 3 Format: SMD N1 N2 N3 Smooth derivative - don't use this there is a bug (17-8-87) SMO 9 Format: SMO CC N1 N2 This smooths the data on channel N1. Three different types of smoothing are available, and are selected by the contents of CC (G, 3 or 5). When SMO G is entered the program will Gaussian smooth the data on channel N1 using a window of half-width specified by N2. When SMO 3 or SMO 5 is entered used either a 3-point (CC=3) or a 5-point (CC=5) polynomial smooth. In these cases when N2 is specified then the operation will be repeated N2 times. STD 6 Format: STD N This is used to standardise the data on channel N. Both field span and field set callibration can be done, if both of these are being set then the span should be done first. Be sure that the standard data is displayed before using STD (use PLO N if necessary). All input is prompted. STF 8 Format: STF N CCC N1 This stores data on channel N in a formatted file of name CCC. If the file exists a new version is created. If N1 is -1 then only Y coordinates will be written, if it is unspecified (or any number other than -1) then both X and Y are written. eg. STF 1 MYDATA.JUNK STO 6 Format: STO N CCC This stores data and parameters on channel N in an EPR format file of name CCC. If the file exists a new version is created. eg. STO 3 EPRDATA.DAT SWA 5 Format: SWA N1 N2 This swaps data and parameters in channel N1 with those in N2. eg. SWA 1 2 - will swap data and parameters between channels 1 & 2 UTI 3 Format: UTI CCC This provides utilities - this section as yet incomplete. ZFI 3 Format: ZFI N1 N2 This zero-fills the data on channel N1 up to a total of N2 points.