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Extra resources for Computer Programs for Chemistry

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6000E+04 A CALCD. 1234E-03 B CALCD. 1171E-02 C CALCD. 8644E-03 V OBSD. 1235E-03 F ig . V CALCD. RC T. 64 35. 97 64. 75 1 -2 The data cards are now summarized. The column TIME simply prints what was punched in Cols. 1-10. The standard deviation of time in Cols. 11-20 was blank in each case. The value entered is that of SDEVTS which was internally set (see discussion of Card 4). The raw data repre­ sent the values entered in Cols. 21-30. The 10 VAL. column is not ap­ plicable here. For transmittance data the nominal 100% value of percent T can be entered in Cols.

TO OBSD^ VAR. BO D DEL DEL=(RB*A0-RA*B0/2 SUBROUTINES REQUIRED CALIBR ERA LDATA2 LSQ NDFIL OPTION PAREST OB DB DB DB DB DB OB DB DB DB OB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB DB OB DB DB DB DB DB DB DB DB DB DB DB DB OB DB DB DB DB DB DB DB DB DB DB DB DB DB DB 100 200 300 400 500 600 700 800 900 1000 1100 1200 1300 1400 1500 1600 1700 1800 1900 2000 2100 2200 2300 2400 2500 2600 2700 2800 2900 3000 3100 3200 3300 3400 3500 3600 3700 3800 3900 4000 4100 4200 4300 4400 4500 4600 4700 4800 4900 5000 5100 5200 5300 5400 5500 5600 5700 5800 5900 C C c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c c PLOTLN PACKAGE ROOT SLENU WRHEAO INDEX OF VARIABLES AA BASEV BASEVS BB BCDERR CC D DATE DEL F HEADER ICALBR IERR IEST ILINE IND INORM INPERR IROLE IROUTE ITERR ITVAR ITYP MAXERR MAXLIN MAXPTS MAXRPT NCHAR NEST NHLINE NLINE NOMIT NPAGE NPTS OMI Τ( I ) OPTD OPTM OPTP OVRIOE PARAM PASS PASSWO PCHAR PCTRCT RA RB RC RESID SDEVP SDEVTS IN COMMON CONC.

LSKIN2 18 Cols. 51-60 RC A preliminary value of WC may be entered here. Cols. 61-70 W D Ignored. CARD 8 TO END Cols. 1-10 Cols. 11-20 Cols. 21-30 Cols. 31-40 Cols. 41-50 Col. 70 Col. 71 Col. 72 W The value of the concentration. Ignored. V As above. SDEVV As above. BASE As above. Ignored. Ignored. The last card must have a character punched 72. in Column The values of WA, W B , WC computed in the calibration run will be used for all subsequent stacked LSKIN2 sets in the data deck as long as WA, W B , and WC remain blank for these sets.

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