OVERLAP Instructions by Chuck Herrington JEOL USA, Inc. 11 Dearborn Rd. Peabody, MA 01960 The purpose of this program is to list all of the potential X-ray line overlaps within a set of elements to be analyzed. The input to the program is as follows: 1) First, select the element and line entry mode you would like to use. The two choices are via the keyboard or from a data file, OVERLAP.ELE, if a large list of elements are needed. This makes it easy to modify a list of elements without having to retype a list every time. The format of the OVERLAP.ELE file is an ASCII file each line of which has an element name and k,l or m for the X-ray line as follows. cr,k ba,l pt,m 2) Now select which units you would like to deal with. The choices are millimeters, angstroms or electron volts. Select by typing the number of the selection or the up and down arrow keys followed with ENTER. 3) Threshold: If a pair of X-ray lines are closer together than this number in terms of the units selected, it will list the pair of X-ray lines. 4) Order: The maximum multiple order reflection which will be checked. 5) If you selected keyboard entry of elements, you will be prompted for the name of the elements and lines you want checked. It will accept either upper or lower case characters. To end element input, default the name by pressing ENTER without typing a name. 6) Now select where you would like the output to appear. The choices are the screen, printer on "LPT1:" or a data file of which you can specify a full file specification. If your printer is on another port, ie. "COM1:", simply select the file option and enter "COM1:" as the data file name. The output will give you the element names that you entered followed by the same information about other X-ray lines that come within the threshold value entered. The last column gives you the difference between the two. Following is an example of the column headings when mm units are selected. If eV units are selected, there is no "Order" or "Crystal" column. Crystal Line Pos(mm) Overlap Line Order Pos(mm) Diff(mm) Where: CRYSTAL is the spectrometer crystal that the overlapping peaks occur on. LINE is the first order X-ray line that was entered. POS(mm) is the mm spectrometer position of "Line". OVERLAP LINE is the X-ray line that comes within the threshold of "LINE". ORDER is the order of "OVERLAP LINE". POS(mm) is the mm position of "OVERLAP LINE". DIFF(mm) is the difference of the two X-ray lines in mm. The file "OVERLAP.XTL" is an ASCII data file which contains the number of crystals you have, the names of those crystals and the 2d lattice spacing of the crystals. Note that the string fields at the end of each line must be there and really are only there as labels; they are not used in the program. Here is an example. 7,"# of xtals" LIF,PET,TAP,STE,LDE1,LDEB,N80,"xtal names" 4.0267, 8.742, 25.757, 100.4, 60, 145, 80,"xtal 2d spacings in angs" The file OVERLAP.WLD is the other file needed by OVERLAP. It contains the database of all the X-ray wavelengths. This program was put together rather quickly and has not been thoroughly tested. Therefore the accuracy of the information in this program and the results it gives cannot be guaranteed. The author and JEOL cannot be held responsible for any consequences resulting from the use of this program. Also, since this is a public domain program, extensive support should not be expected. However, simple questions, comments or problems would be appreciated, especially if any errors are found. Please notify the author if this becomes a routinely used and useful program. HAPPY PROBING!