A.C.Hannon Interfere and Merge in Excel
page 2
where
()
iQ
i
,
()
IQ
i
and
()
IQ
i
S
are respectively the distinct, total and self scattering for the i
th
detector group.
α
i
is the re-normalising factor for the i
th
group. Ideally all re-normalising factors should
be equal to one, but in practice it is necessary to multiply the total scattering by a factor a little different
from one in order to yield a result from eqn. (1) which oscillates about zero. A slightly different value will
be needed for
α
i
for each detector group, but the values should not differ markedly from one. In the
ATLAS suite the program INTERFERE is used to apply eqn. (1) to the .DCS and .SLF files, and put the
distinct scattering for each detector group into a .INT file.
In the ATLAS suite the MERGE program is used next to combine the distinct scattering for all
of the groups into one composite curve (a .SOQ file), covering the widest
Q-range possible. For each
group the user specifies the reliable
Q-range by giving Q
min
and Q
max
.
3. Getting the data into the Excel workbook
Once the ATLAS suite has been used to produce the .DCS and .SLF files for the sample, the
data can be put into files suitable for input to the Excel workbook by typing @g_f:PC in GENIE [4]. This
creates output files named DCS12345.PC and SLF12345.PC. These are ASCII files and should be
copied to the hard disk of the PC. At present the data are binned with a maximum
Q of 40Å
-1
and with
a
Q-spacing of 0.1Å
-1
.
An example Excel workbook INTMER.XLS is available. This may be obtained via the World
Wide Web by connecting to the ISIS Disordered Materials Home Page (http://isis.rl.ac.uk/disordered)
and following the links to the Software Downloads page. The file is also available on the ISIS PC
network on the “Babylon” area as \ACH\Intmer\INTMER.XLS. Furthermore the file may be obtained
direct from the author, but please note that its size is nearly 3 Megabytes, which is too big for a floppy
disc.
Copy the file INTMER.XLS to your PC and rename it to a suitable name e.g. SAMPLE1.XLS.
In order to get the data into the Excel workbook on the PC, adopt the following procedure:
1. Use the ATLAS suite to produce the .DCS and .SLF files.
2. In GENIE type @g_f:PC to produce the files DCS12345.PC and SLF12345.PC.
3. Copy the two files to the PC.
4. Start Excel.
5. Click the File menu and then Open.
6. Open the DCS12345.PC file. The data will be read in as a worksheet (take the defaults offered at
each stage of the “Text Import Wizard”).
7. Once the file has been imported, click the “select all” button (this is the unmarked button to the left
of “A” and above “1”).
8. Copy the data to the clipboard.
9. Close the file DCS12345.PC. (Make sure that the data are not lost from the clipoard).
10. Open the workbook SAMPLE1.XLS.
11. Go to the worksheet named DCS and position the cursor at cell A1.
12. Paste the data into the worksheet.
Then repeat the above procedure (steps 5 to 12) to get the data from the file SLF12345.PC into the
worksheet named SLF. Figure 1 shows an example of the SLF worksheet for a tellurite glass [5].
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