1.0 - EPR - main program
This program is designed for general spectral manipulations, measurements,
and simple calculations. It will read all file formats. The program is operated
by using the arrow keys or tab keys to select an item from a menu at the top of
the screen, and pressing the Enter key to select that item. This manual is
organized by menu layer and option.
1.0.1 Spectrum pages and number of data points
The default program, EPR.EXE, has room for 20 spectra of up to 2048 data
points. If more resolution is needed, two other programs are available:
EPR4K.EXE has 10 pages of 4096 data points, EPR8K.EXE has 5 pages of
8192 data points. The simulation programs can calculate up to 4096 data
points.
1.0.2 The screen display ( View complete display )
message box
The top two lines of the program data screen are called the message box. This
area will show the current menu selections and will post messages and prompts
as needed.
header box
The three lines in a boxed area are called the file header area. In the upper left
is the current page number followed by the current filename and the file
comment. The next lines are status lines.
<#> page number Filename ----> Comment
SR scan range of the current file.
FC field center of the current file.
DP number of data points of the current file.
XS current X-scale factor, a multiplier applied to the display.
XS=1 implies no expansion. XS=2 implies two time expansion
while XS<1 implies shrinkage.
XO current X-offset, in gauss and in number of data points.
XO>0 implies a shift to the right, XO<0 implies a shift
to the left.
Dx distance between the two cursors measured in gauss
Dy distance between the intersections of the current spectrum and
the two cursors in screen units.
p1 current data point position of the left cursor
p2 current data point position of the right cursor
Dual= dual (overlay) spectrum page number if enabled,
Dual= Off if disabled.
YS current y-scale factor, this spectrum is multiplied by this
number for screen display. YS=1 -no multiplication, YS>1
implies a y-expansion, YS<1 implies a y-shrinkage. The true
value of a data point is its screen value as measured by the
cursors divided by the YS factor.
display box
The large boxed area is the spectral display area. The spectrum corresponding
to the header above is displayed in the same color as the header print. The dual
(overlay) spectrum is shown in a light gray coloring if it is enabled. Tick
marks are arbitrary. The dual spectrum is a copy of the original page from
which it was obtained and changes made to the dual spectrum do not affect the
original page.
1.0.3 Using the menus
The arrowhead (menu pointer) points to the current menu selection.
[Arrow] , [Tab] Move the menu pointer.
[Escape] , [Backspace] Exit from a menu.
[ENTER] Select that menu option.
1.0.4 Selecting a spectral page number
[PageUp] , [PageDn] Select from the spectral pages.
F2 Jump to another spectrum page.
F3 Copy the current page to another page.
1.0.5 Function Keys
The function keys are generally available whenever a menu appears in the
message box and unavailable otherwise. The exception is the Cursor mode
when no menu appears and the function keys are available and in Layout mode
when F2,F3,F4 are not available. There are probably some others that I can't
think of right now.
F1 Help screen will appear. But do you really expect significant help?
F2 Jump to another spectrum page without paging.
F3 Copying the current page parameters and data to another page.
F4 Displays a list of all pages and their respective file names.
F5 Enters the cursor menu for direct manipulation of cursor positions
and zoom in/out of display. These keys are then active
[left arrow],
[right arrow] Slow move the active cursor
Ctrl-[left arrow],
Ctrl-[right arrow] Fast move the active cursor
[spacebar] Change the active cursor
X Zoom the display to the region between the
cursors
R Restore the full spectrum display
F6 Toggles the screen GRID
F8 Shells out to the operating system command line.
Enter "exit" to return to the EPR program.
1.0.6 Moving the data display cursors
In addition to pressing F5 to enter the cursor routine, you may move the cursors
on screen almost anytime a menu is at the top of the screen with these key
combinations:
Ctrl-[left arrow]
Ctrl-[right arrow] Move the current cursor to a new position.
[spacebar] Change the active cursor
Ctrl-X Zoom the display to the region between the cursors
Ctrl-R Restore the full spectrum display
1.1.0 Main program options
File Display Calc. Modify Functions
HCCE Plot Layout EXIT
File menu options
Load Loads data from disk, you will be prompted for the file type.
Save Saves data to disk, you will be prompted for the file type.
Binary ASCII Bruker Group
Enter *.* to view a partial listing;
Enter a*.* for all the files beginning with "a".
Enter ... to load multiple files at once
Directory Change the current directory by typing in a new path.
Include an asterisk * to view a listing of data files.
Jump Change the display to another data page.
Copy Copy the current data page to another data page. You will be
prompted for the new page number
View View a list of all pages with their file names.
Import Import a file from the EPR clipboard.
Export Export a file to the EPR clipboard
Parameters Edit the current data parameters such as scan range, scan
time, etc... View all current numeric data parameters.
Null Replace the current data with null data. Can apply to current
page or all pages.
To load more than one file of a single type, press three periods and enter at the
file name prompt. You will then receive a screen with prompts for entering a
filename for each page. To initiate the loads, go through the entire list and
press enter at the last page. To quit the loads, press the escape key to exit the
list at page one.
Changing directory only modifies the current data directory and does NOT
affect the location of the clipboard files in the \lab\eprdata\clipfile.# temporary
files.
Display menu options
Scale Changes the Y and Y scale display factors. Does not affect
actual data values.
[left arrow] Increase the X scale
X Enter a specific X scale factor
[right arrow] Decrease the X scale
Y Enter a specific Y scale factor
- Hold down the control key and press the
arrow keys for faster X scale changes
Increase the Y scale
Decrease the Y scale
Position Changes the X and Y display positions. Does not affect
actual data values.
Move the spectral display left
X Enter a specific X offset in Gauss
Move the spectral display right
- Hold down the control key and press the
arrow keys for faster X position changes
Move the spectrum up
Move the spectrum down
Combine Addition or subtraction of two data sets. If the dual
display is enabled, you will be prompted for the
Y-multiplication factors for the current main and dual
displays. If the dual display is not enabled, you will be
prompted for the page numbers and Y-multiplication factors.
When completed, you will be prompted for the page number
to store the result. If you do not want to store the result,
press the escape key.
Reset Creates a full screen display of the current data.
Invert Multiply the data by negative one. Displays the results.
Dual_ON/OFF Creates a spectral overlay for comparisons. You will be
prompted for the page number of the overlay display.
Modify_Dual Choose to allow display modifications to either both the Main
and Dual spectral displays or only the Main spectrum display.
You will be prompted for the action.
Split This function is for modifying the display of data collected
from two sources concurrently.
Create Combine two independent pages into one split data set.
Separate Separate a split data set into two independent pages.
Kill Gets rid of the second (lower display) data set and
leaves the first data set.
Modify Changes the relative display factors of the two data sets.
Calc. menu options
Baseline Corrects the data for a sloping or offset baseline.
Linear Fits a linear line to the ends of the chosen range
Left Adjusts left end of the chosen range to zero.
Right Adjusts right end of the chosen range to zero.
Average Adjusts the average of the chosen ends to zero.
You will be prompted to apply the correction based on the
(1) spectral end points , or
(2) the spectral intersections with the two on-screen cursors.
The correction applies to the entire spectrum.
Also, you can use a low frequency filter of the
FT spectrum, see the Ftepr.exe program documentation,
to filter out many non-linear baseline effects.
Deriv Calculates a Savitsky-Golay derivative. You will be
prompted for the derivative width in points. The greater
the number of points, the less resolution obtained in the
derivative spectrum.
Int_range Integrates over the range between the cursors and reports
the sums and differences. Can be repeated for double
or triple integrals. You will be prompted for a linear
baseline correction based on the spectral intersections
with the two on-screen cursors.
Integrate Create an integrated spectrum.
Filter Creates a Savitsky-Golay filtered spectrum. You will be
prompted for the filter width in points. The greater the
number of points, the more severe the filter.
G-values Calculates the g-values at the cursor positions. Check the
scan range, field center, and microwave frequency values
(using the Parameters routine) to ensure g-value accuracy.
Max_min Reports the high and low points (for the range between the
cursors) with point number, field value, g-value, and intensity.
Peaks Reports all peak positions (for the entire spectral range) with
point number, field value, g-value, and intensity.
Modify menu options
Baseline Baseline corrections. See the Calc. option documentation.
Center Process to adjust the spectral data to be centered in the
storage array. This is especially useful for simulating
spectra since the simulation g-shift can then be set to
zero. The spectrum is centered by comparing the left and
negative right halves of the spectrum, the 'mirror' process.
The spectrum display should already be adjusted so that the
spectral center is very near the display center. The
program will iterate across a range of possible centers,
saving the best. You will prompted for the final center
array position where the default is the computer-found
best center. You may elect to keep or throw away the
new centered data.
Mirror Replaces the right half of the spectrum with the negative of
the left half of the spectrum.
Normalize Adjusts the total spectral intensity to 1000.0, adjusts the
display y-scale to 1.0.
Delete Replaces the area between the cursors with a linear fit based
on the two cursor intersections.
Zero_fill Replace the region between the cursors with zeros.
Zoom_scan Expand permanently the data between the cursors. Data
outside the cursors will be discarded! The number of
data points will not change. For example, to permanently
change a 60 G scan to 40 G.
Reduce Reduces the number of data points by a factor of one half.
Repeatable until 64 data points.
Splice Increases the number of data points by a factor of two.
Repeatable until 2048 data points.
Functions menu options
Y-mult Multiply the data. You will be prompted for the multiplier.
The max. and min. spectral values are printed.
Y-add Add to the data. You will be prompted for the constant.
The max. and min. spectral values are printed.
ABS Calculate the absolute value of the current data.
Log Calculate the natural logarithm of the current data.
All data values less than 1.0 will be set equal to
1.0 so that the minimum of the result spectrum will be 0.0.
Fit_1st A linear fit is calculated for the data between the
cursors. The intercept (b0), slope (b2), and correlation
(r) are displayed.
Noise Random noise is added to the spectrum.
R-value Spearman's Rank Correlation Coefficient is calculated
for two spectra. You are prompted for the two page numbers.
Ratios Fit the ratios of up to six component spectra to a reference
spectra. All spectra must first be loaded into separate pages.
You are prompted for the reference spectrum page number, the
number of components, and the page numbers of the components.
The computer then fits the ratios of the components to the
reference and displays the results in four iterations. The
maximum and minimum component ratios are 101 and 1.
HCCE menu options
Hyperfine Coupling Constant Extraction (see references).
These routines are designed to identify and remove the spectral effect
of an isotropic coupling constant.
Search Generate a 'search' spectrum where possible splittings are
shown as minima and the coupling value is measured from the
start of the spectrum. Enter the spin value and the hyperfine
range of couplings over which to search.
Separate Remove the effect of a splitting from a spectrum. Enter
the spin value and the hyperfine range of couplings at
which to separate. Each separated spectrum result will
appear on screen with a prompt to save the result or continue.
Minima Sorts and prints the list of minima from a search spectrum.
Power Raises the data in a search spectrum to a power to improve
resolution of the minima.
Wings Zero the data, usually a baseline, outside the current
cursor positions. This effect will reduce the noise in
successive separations.
Info. Simple information about the HCCE procedure.
Layout menu options
This option has the purpose of allowing several spectra to be
displayed and plotted concurrently and allows for extensive modification of
combined display. Layout has its own X,Y scale and translation values as well
as X,Y spectral separation values which apply to all spectra in the layout.
These values are in addition to each spectral page display parameters.
Changing the layout display parameters does not affect the individual spectral
page display parameters. The Y offset and separation parameters have units of
1/10 the screen display as indicated by the vertical tick marks. The X offset
and separation parameters have units of Gauss. Layout page numbers and
display parameters are preserved even when you leave and re-enter the layout
routine so that display changes can be made to individual pages during the
layout process without repeating all the layout steps.
Modify Change the current layout display modifications. Enter new
values to adjust the display satisfactorily.
Add_pages Add spectral pages to the layout display. Enter each page
individually. You may not enter a page twice.
Clear Eliminate all layout pages and reset display values.
Plot Enter the plot routine to output the layout display.
Plot menu options
Enables output to a dot matrix printer, an HP7475A plotter or to an HPGL
instructions file. For a plotter, the serial communications port interface
values are fixed to 9600 baud, 8 data bits, 1 stop bit, and no parity; adjust
the serial port of your plotter to these values. The plotter should be set to
mode A3 (US units, 11x17 inches) of the 7475A. A null modem with hardware
handshaking implemented should be connected between the computer and the plotter.
See your plotter's manual for cable wiring instructions. The following sub-menu
items are available.
Setup These parameters control the appearance of the plot. The
default plot is the spectrum only on 8.5x11" paper. These
values are reset only when the program is loaded.
Com_port Choose the serial port number, 1 to 4.
File The HPGL file is ASCII text and may be transferred to many
different computers for output to an HPGL compatible plotter
or may be imported into a presentation graphics software
package for annotation and output to a laser printer.
Plotter Plots to an HPGL plotter through the computer's serial port.
File Plots to an HPGL instructions file. This file may be output to
an HPGL plotter or HPGL capable printer, or may be loaded into
any of a number of graphics or word-processing programs that
import HPGL. You will be prompted for the filename.
Print Changes the display to white on black for printing to a dot
matrix printer. The screen will be re drawn in black on white
for printing or screen capture. Now press the Shift-PrintScreen
key combination for output through the computer's parallel port
to a dot-matrix printer. Under Microsoft Windows, press
PrintScreen only to copy the screen image to the Windows
clipboard, then Paste the image into any Windows application.
You have two options:
Screen uses the current display setup including header.
Scan uses the entire scan display with spectral parameters.
Conversion to HTML in progress. DRD, Jan, 1996.