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decuslib20-03
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decus/20-0077/nmrsim.exe
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<+ + 52 ` ~{+s C( (I) (A5) (2G) (/' NMR SIMULATION AND PLOTTING PROGRAM'/'0USER MUST GIVE TWO-DIGIT REPLY WHENEVER PROGRAM'/' ASKS "NEXT?" TO EXIT, TYPE 30. FOR HELP, TYPE 0.') (' COMMAND SEQUENCE ERROR AT OPTION'I3,'--BACK UP?') ('0NEXT? '$) (' COMMAND CODE NOT RECOGNIZED') (' 0=TYPE THIS TEXT'//' 10=LIST AVAILABLE NUCLEI'/' 11=DEFINE NEW SPIN SYSTEM'/' 12=ENTER COUPLING CONSTANTS'/' 13=ENTER CHEMICAL SHIFTS'/' 14=ENTER NUCLEUS OBSERVED'/' 15=ENTER INTENSITY THRESHOLD'/' 16=START DIAGONALIZATIONS'//' 21=RETRIEVE LINE SPECTRUM TO PLOT'/' 22=ENTER MINIMUM RESOLUTION'/' 23=TABULATE LINE SPECTRUM'/' 24=ENTER X-SCALE'/' 25=ENTER H1,T1,T2'/' 26=ENTER Y-SCALE'/' 27=ENTER PLOT SPEED'/' 28=PLOT WITH CURRENT PARAMETERS'//' 30=QUIT') (' AVAILABLE NUCLEI: '$) ('+'A5,$) (' ')(' HOW MANY NUCLEI (MAX=7)? '$) (' IDENTIFY NUCLEI (ALL OF ONE TYPE,'' THEN NEXT TYPE, ETC.)'/) ('+#'I1,' '$) (' 'A5,' NOT AVAILABLE: REENTER'$) (' TOO MANY SPIN FUNCTIONS: USE FEWER NUCLEI') (' PAIR COUPLING CONSTANT (HZ)'/) ('+'2I2,' '$) (' ATOM# TYPE CHEMICAL SHIFT (HZ)') ('+'I3,5X,A5,1X,$) (' TYPE OF NUCLEUS OBSERVED? '$) (' NUCLEUS 'A5,' NOT DEFINED IN MOLECULE') (' TOTAL INTENSITY EXPECTED = 'F6.1/' MINIMUM INTENSITY? '$)(' NAME FOR LINE SPECTRUM DISK FILE (MAX=5 CHARS)? '$) (E15.8) (' DIAGONALIZATION ABORTED, CAN REUSE FILE 'A5) (' DIAGONALIZATIONS COMPLETED FOR FILE 'A5/' TOTAL COMPUTED INTENSITY = 'F10.5,' IN 'I5,' LINES'/' FROM'F10.3,' TO 'F10.3,' HZ') (' MINIMUM MEANINGFUL RESOLUTION (HZ)? '$) (' MORE THAN 'I4,' LINES WITH DEGRADED')(' RESOLUTION = 'F8.4,' HZ') (' NUMBER OF LINES = 'I4)(' FOR LISTING OF LINES, SPECIFY 1=DSK, 2=TTY ALSO,',' ELSE SKIP? '$) (' FREQUENCY INTENSITY'/)(2F15.5) (' LINES EXTEND FROM'F10.3,' TO'F10.3,' HZ') (' WHAT LEFT,RIGHT FREQUENCIES (HZ) FOR X-AXIS? '$) (' WHAT RF POWER (MILLIGAUSS,APPROX 0.01)? '$) (' WHAT T1,T2 (SEC)? '$) (' MAXIMUM INTENSITY (ARBITRARY) ='F8.4/' WHAT BOTTOM,TOP INTENSITIES FOR Y AXIS? '$)(' WHAT PLOT SPEED (PARTS IN'I4,')? '$) (' DISK FILES CREATED BY THIS PROGRAM HAVE .DAT'/' EXTENSION AND 057 PROTECTION CODE') (' NAME FOR LISTING FILE (MAX=5 CHARS)? '$) (' FOR TTY, SPECIFY 0=TYPE ALL LINES,',' ELSE ENTER MIN INTENSITY? '$) ~/
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