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Trailing-Edge - PDP-10 Archives - decuslib20-03 - decus/20-0077/nmrsim.exe
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<++52	`~{+sC((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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