(a)
IF ANY INTENSITY 7 TO 10 SHARP TO BROAD PEAKS ARE IN RANGE 1765 TO 1660 THEN BEGIN SET ALDEHYDE TO 0.05 IF ANY INTENSITY 1 TO 10 SHARP TO BROAD PEAKS ARE IN RANGE 2795 TO 2660 THEN BEGIN ADD 0.05 TO ALDEHYDE IF ANY INTENSITY 1 TO 10 SHARP TO BROAD PEAKS ARE IN RANGE 2750 TO 2650 THEN BEGIN
START 1765-1660
7-10 Ν Y
PALD =
0.05
2795-2660 1-10 Ν Y FINISH
DONE
PALD + 0.05 2750-2650 1-10
Ν DONE ELSE FINISH DONE ELSE FINISH
Y
PALD
+ 10.05
Figure 3. Small section of aldehyde rules (a) in program form, (b) in tree diagram
Our research effort, based on work initiated at Arizona State University, has resulted in a package called PAIRS (program for the analysis of IR spectra). The inference engine is a Fortran program that analyzes a spec trum and any available supplemental information (such as sample state) by
using the rules available in the knowl edge base. The rules were initially extracted from the experiences of scientists through textbooks, journal articles, and verbal information. PAIRS tests for a total of 168 different functionali ties. The rules for each functionality
(class) are stated on paper in the form of hierarchical trees. With certain ex ceptions, the order in which functional groups are considered during an inter pretation is of little consequence. Figure 3a shows a small section of the rules used to determine the likeli hood of an aldehyde being present;
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MITSUBISHI CHEMICAL INDUSTRIES LIMITED Instruments Dept., Mitsubishi Bldg., 5-2, Marunouchi 2-chome, Chlyoda-ku, Tokyo 100, Japan Telex: J24901 Cable Address: MBISHICHEMICAL TOKYO Tel: {03)283-6715
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1318 A • ANALYTICAL CHEMISTRY, VOL. 56, NO. 12, OCTOBER 1984
