##TITLE=              31P MAS NMR spectrum of as-made AlPO-53(A) (with methylamine template)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Ashbrook et al. Journal of Physical Chemistry C, 113, 10780-10789 (2009) Figure 5d
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/14 15:30:37
##SOURCE REFERENCE=   AEN-31P-Ashbrook-2009-asmade
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AEN
##NAMES=              AlPO-53(A)
##SAMPLE DESCRIPTION= AlPO-53(A), as-made

$$Bibliographic information 
##$AUTHORS=           Ashbrook, S.E., Cutajar, M., Griffin, J.M., Lethbridge, Z.A., Walton, R.I., Wimperis, S.
##$TITLE=             Transformation of AlPO-53 to JDF-2: reversible dehydration of a templated aluminophosphate studied by MAS NMR and diffraction
##$JOURNAL=           Journal of Physical Chemistry C
##$VOLUME=            113
##$PAGES=             10780-10789
##$YEAR=              2009
##$DOI=               10.1021/jp902074s
##$FIGURE=            Figure 5d

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         6
##$PEAK LABELS=        P2/P3      P3/P2      P1/P4      P4/P1      P5         P6        
##$PEAK TSITES=        T1/T1      T1/T1      T3/T3      T3/T3      T2         T2        
##$PEAK POSITIONS=    -28.0492   -27.6867   -25.1847   -24.4754   -16.8623   -14.7302   
##$PEAK AREAS=         1.         1.         1.         1.         1.         1.        
##$PEAK WIDTHS=        1.65953    1.65953    1.65953    1.65953    1.34714    1.48456   
##$PEAK SHAPES=        0.36264    0.36264    0.36264    0.36264    0.36264    0.36264   
##$NUMBERING REF=     Kirchner et al. Microporous Mesoporous Mater., 39, 319-332 (2000)
##$ASSIGN REF=        Ashbrook et al. Journal of Physical Chemistry C, 113, 10780-10789 (2009) Table 1
##$ASSIGN METHOD=     quantum chemical calculations
##$COMMENT=           Peak assignments based on plane-wave DFT calculations using energy minimized structure

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 161.9
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     10000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -10.                  
##LASTX=              -33.8                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            239
##FIRSTY=             -0.01757              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -10.                -0.01757              
 -10.1               -0.01670              
 -10.2               -0.01665              
 -10.3               -0.01665              
 -10.4               -0.01665              
 -10.5               -0.01665              
 -10.6               -0.01665              
 -10.7               -0.01665              
 -10.8               -0.01666              
 -10.9               -0.01664              
 -11.                -0.01686              
 -11.1               -0.01317              
 -11.2               -0.00885              
 -11.3               -0.00888              
 -11.4               -0.00893              
 -11.5               -0.00892              
 -11.6               -0.00893              
 -11.7               -0.00893              
 -11.8               -0.00892              
 -11.9               -0.00748              
 -12.                -0.00284              
 -12.1               -0.00409              
 -12.2               -0.00749              
 -12.3               -0.00901              
 -12.4               -0.00597              
 -12.5               -0.00076              
 -12.6                0.00400              
 -12.7                0.00521              
 -12.8                0.00549              
 -12.9                0.00939              
 -13.                 0.01632              
 -13.1                0.02209              
 -13.2                0.02722              
 -13.3                0.03498              
 -13.4                0.04832              
 -13.5                0.06463              
 -13.6                0.09012              
 -13.7                0.12275              
 -13.8                0.16750              
 -13.9                0.21971              
 -14.                 0.27692              
 -14.1                0.34500              
 -14.2                0.40888              
 -14.3                0.46970              
 -14.4                0.52229              
 -14.5                0.55728              
 -14.6                0.57252              
 -14.7                0.57013              
 -14.8                0.54886              
 -14.9                0.51760              
 -15.                 0.48265              
 -15.1                0.44462              
 -15.2                0.41008              
 -15.3                0.37742              
 -15.4                0.34800              
 -15.5                0.32645              
 -15.6                0.31019              
 -15.7                0.30072              
 -15.8                0.29503              
 -15.9                0.29900              
 -16.                 0.31625              
 -16.1                0.34217              
 -16.2                0.38344              
 -16.3                0.43402              
 -16.4                0.48595              
 -16.5                0.53747              
 -16.6                0.58056              
 -16.7                0.61347              
 -16.8                0.63529              
 -16.9                0.63297              
 -17.                 0.61182              
 -17.1                0.58169              
 -17.2                0.53519              
 -17.3                0.47833              
 -17.4                0.41638              
 -17.5                0.35428              
 -17.6                0.28984              
 -17.7                0.23733              
 -17.8                0.19490              
 -17.9                0.15674              
 -18.                 0.12411              
 -18.1                0.09758              
 -18.2                0.07851              
 -18.3                0.06274              
 -18.4                0.04917              
 -18.5                0.03991              
 -18.6                0.03517              
 -18.7                0.03535              
 -18.8                0.03709              
 -18.9                0.03756              
 -19                  0.03445              
 -19.1                0.03088              
 -19.2                0.02967              
 -19.3                0.02757              
 -19.4                0.02404              
 -19.5                0.02189              
 -19.6                0.02189              
 -19.7                0.02191              
 -19.8                0.01951              
 -19.9                0.01555              
 -20.                 0.01445              
 -20.1                0.01159              
 -20.2                0.00764              
 -20.3                0.00643              
 -20.4                0.00944              
 -20.5                0.01213              
 -20.6                0.01050              
 -20.7                0.00694              
 -20.8                0.00645              
 -20.9                0.00506              
 -21.                 0.00153              
 -21.1                0.00361              
 -21.2                0.00553              
 -21.3                0.00288              
 -21.4               -0.00099              
 -21.5                0.00208              
 -21.6                0.00655              
 -21.7                0.00656              
 -21.8                0.00650              
 -21.9                0.00651              
 -22.                 0.00648              
 -22.1                0.00731              
 -22.2                0.01164              
 -22.3                0.01818              
 -22.4                0.02261              
 -22.5                0.02939              
 -22.6                0.03948              
 -22.7                0.05032              
 -22.8                0.06874              
 -22.9                0.08934              
 -23.                 0.11091              
 -23.1                0.13861              
 -23.2                0.17089              
 -23.3                0.20953              
 -23.4                0.24724              
 -23.5                0.29015              
 -23.6                0.33695              
 -23.7                0.38194              
 -23.8                0.42925              
 -23.9                0.48434              
 -24.                 0.54453              
 -24.1                0.60258              
 -24.2                0.65726              
 -24.3                0.71268              
 -24.4                0.76208              
 -24.5                0.80795              
 -24.6                0.84779              
 -24.7                0.88028              
 -24.8                0.90168              
 -24.9                0.90664              
 -25.                 0.89699              
 -25.1                0.87597              
 -25.2                0.83916              
 -25.3                0.79155              
 -25.4                0.73714              
 -25.5                0.67671              
 -25.6                0.61902              
 -25.7                0.55812              
 -25.8                0.49815              
 -25.9                0.44081              
 -26.                 0.39026              
 -26.1                0.34885              
 -26.2                0.32055              
 -26.3                0.30662              
 -26.4                0.30537              
 -26.5                0.31396              
 -26.6                0.34057              
 -26.7                0.37643              
 -26.8                0.41931              
 -26.9                0.47617              
 -27.                 0.53553              
 -27.1                0.60466              
 -27.2                0.67646              
 -27.3                0.74750              
 -27.4                0.81189              
 -27.5                0.87029              
 -27.6                0.92112              
 -27.7                0.95690              
 -27.8                0.97788              
 -27.9                0.98407              
 -28.                 0.96404              
 -28.1                0.92876              
 -28.2                0.88402              
 -28.3                0.82274              
 -28.4                0.75071              
 -28.5                0.67500              
 -28.6                0.59461              
 -28.7                0.51577              
 -28.8                0.43942              
 -28.9                0.37035              
 -29.                 0.30869              
 -29.1                0.25610              
 -29.2                0.21140              
 -29.3                0.17907              
 -29.4                0.15180              
 -29.5                0.12887              
 -29.6                0.11486              
 -29.7                0.10502              
 -29.8                0.09315              
 -29.9                0.08476              
 -30.                 0.08150              
 -30.1                0.07594              
 -30.2                0.07081              
 -30.3                0.06827              
 -30.4                0.06825              
 -30.5                0.06820              
 -30.6                0.07100              
 -30.7                0.07571              
 -30.8                0.07312              
 -30.9                0.06962              
 -31.                 0.06826              
 -31.1                0.06830              
 -31.2                0.06744              
 -31.3                0.06564              
 -31.4                0.06445              
 -31.5                0.06441              
 -31.6                0.06284              
 -31.7                0.06064              
 -31.8                0.05952              
 -31.9                0.05783              
 -32.                 0.05667              
 -32.1                0.05669              
 -32.2                0.05577              
 -32.3                0.05408              
 -32.4                0.05187              
 -32.5                0.04732              
 -32.6                0.04510              
 -32.7                0.04509              
 -32.8                0.04509              
 -32.9                0.04510              
 -33.                 0.04357              
 -33.1                0.03912              
 -33.2                0.03341              
 -33.3                0.03229              
 -33.4                0.03608              
 -33.5                0.03300              
 -33.6                0.02972              
 -33.7                0.02967              
 -33.8                0.02966              
##END=
