##TITLE=              31P MAS NMR spectrum of calcined AlPO-14
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Ashbrook et al. PCCP, 10, 5754-5764 (2008) Figure 2d
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/15 16:31:17
##SOURCE REFERENCE=   AFN-31P-Ashbrook-2008-calcined
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AFN
##NAMES=              AlPO-14
##SAMPLE DESCRIPTION= AlPO-14, calcined

$$Bibliographic information 
##$AUTHORS=           Ashbrook, S.E., Cutajar, M., Pickard, C.J., Walton, R.I., Wimperis, S.
##$TITLE=             Structure and NMR assignment in calcined and as-synthesized forms of AlPO-14: A combined study by first-principles calculations and high-resolution 27Al-31P MAS NMR correlation
##$JOURNAL=           Physical Chemistry Chemical Physics
##$VOLUME=            10
##$PAGES=             5754-5764
##$YEAR=              2008
##$DOI=               10.1039/b805681a
##$FIGURE=            Figure 2d

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         4
##$PEAK LABELS=        P3         P2         P4         P1        
##$PEAK TSITES=        T4         T3         T1         T2        
##$PEAK POSITIONS=    -31.5887   -27.3174   -26.237    -21.4205   
##$PEAK AREAS=         1.         1.         1.         1.        
##$PEAK WIDTHS=        1.55069    1.64198    1.48339    1.50547   
##$PEAK SHAPES=        0.21304    0.21304    0.21304    0.21304   
##$NUMBERING REF=     Broach et al. Proceedings of the 12th International Zeolite Conference (Vol. 3), 1715-1722 (1999)
##$ASSIGN REF=        Ashbrook et al. PCCP, 10, 5754-5764 (2008) Figure 4
##$ASSIGN METHOD=     2D 27Al/31P correlation NMR
##$COMMENT=           

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 162.0
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     10000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=              0.00000              
##LASTX=              -36.8                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            369
##FIRSTY=             -0.00087              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
  0.00000            -0.00087              
 -0.1                -0.00232              
 -0.2                -0.00227              
 -0.3                -0.00088              
 -0.4                 0.00158              
 -0.5                 0.00148              
 -0.6                -0.00123              
 -0.7                -0.00245              
 -0.8                -0.00243              
 -0.9                -0.00210              
 -1.                 -0.00154              
 -1.1                -0.00192              
 -1.2                -0.00211              
 -1.3                -0.00186              
 -1.4                -0.00222              
 -1.5                -0.00244              
 -1.6                -0.00244              
 -1.7                -0.00244              
 -1.8                -0.00244              
 -1.9                -0.00244              
 -2.                 -0.00245              
 -2.1                -0.00216              
 -2.2                -0.00213              
 -2.3                -0.00304              
 -2.4                -0.00301              
 -2.5                -0.00242              
 -2.6                -0.00245              
 -2.7                -0.00243              
 -2.8                -0.00203              
 -2.9                -0.00108              
 -3.                 -0.00068              
 -3.1                -0.00102              
 -3.2                -0.00126              
 -3.3                -0.00148              
 -3.4                -0.00206              
 -3.5                -0.00244              
 -3.6                -0.00220              
 -3.7                -0.00158              
 -3.8                -0.00154              
 -3.9                -0.00214              
 -4.                 -0.00244              
 -4.1                -0.00180              
 -4.2                -0.00126              
 -4.3                -0.00195              
 -4.4                -0.00245              
 -4.5                -0.00204              
 -4.6                -0.00143              
 -4.7                -0.00133              
 -4.8                -0.00198              
 -4.9                -0.00191              
 -5.                 -0.00010              
 -5.1                 0.00165              
 -5.2                 0.00073              
 -5.3                -0.00143              
 -5.4                -0.00190              
 -5.5                 0.00048              
 -5.6                 0.00231              
 -5.7                 0.00290              
 -5.8                 0.00281              
 -5.9                 0.00084              
 -6.                 -0.00151              
 -6.1                -0.00205              
 -6.2                -0.00067              
 -6.3                -0.00012              
 -6.4                -0.00079              
 -6.5                -0.00101              
 -6.6                -0.00092              
 -6.7                -0.00170              
 -6.8                -0.00243              
 -6.9                -0.00217              
 -7.                 -0.00213              
 -7.1                -0.00243              
 -7.2                -0.00244              
 -7.3                -0.00056              
 -7.4                 0.00213              
 -7.5                 0.00248              
 -7.6                 0.00019              
 -7.7                -0.00173              
 -7.8                -0.00220              
 -7.9                -0.00247              
 -8.                 -0.00244              
 -8.1                -0.00169              
 -8.2                -0.00025              
 -8.3                -0.00018              
 -8.4                -0.00168              
 -8.5                -0.00242              
 -8.6                -0.00245              
 -8.7                -0.00243              
 -8.8                -0.00245              
 -8.9                -0.00061              
 -9.                  0.00081              
 -9.1                -0.00049              
 -9.2                -0.00128              
 -9.3                -0.00127              
 -9.4                -0.00163              
 -9.5                -0.00233              
 -9.6                -0.00215              
 -9.7                -0.00002              
 -9.8                 0.00108              
 -9.9                -0.00038              
 -10.                -0.00179              
 -10.1               -0.00162              
 -10.2               -0.00101              
 -10.3               -0.00039              
 -10.4               -0.00007              
 -10.5               -0.00007              
 -10.6               -0.00007              
 -10.7               -0.00007              
 -10.8               -0.00007              
 -10.9               -0.00007              
 -11.                -0.00009              
 -11.1                0.00001              
 -11.2                0.00059              
 -11.3                0.00063              
 -11.4                0.00065              
 -11.5                0.00132              
 -11.6                0.00122              
 -11.7                0.00051              
 -11.8                0.00155              
 -11.9                0.00313              
 -12.                 0.00348              
 -12.1                0.00348              
 -12.2                0.00346              
 -12.3                0.00251              
 -12.4                0.00170              
 -12.5                0.00238              
 -12.6                0.00209              
 -12.7               -0.00027              
 -12.8               -0.00191              
 -12.9               -0.00102              
 -13.                 0.00116              
 -13.1                0.00297              
 -13.2                0.00349              
 -13.3                0.00347              
 -13.4                0.00348              
 -13.5                0.00347              
 -13.6                0.00349              
 -13.7                0.00289              
 -13.8                0.00229              
 -13.9                0.00293              
 -14.                 0.00350              
 -14.1                0.00345              
 -14.2                0.00312              
 -14.3                0.00290              
 -14.4                0.00326              
 -14.5                0.00349              
 -14.6                0.00348              
 -14.7                0.00348              
 -14.8                0.00348              
 -14.9                0.00348              
 -15.                 0.00348              
 -15.1                0.00346              
 -15.2                0.00403              
 -15.3                0.00523              
 -15.4                0.00706              
 -15.5                0.00824              
 -15.6                0.00820              
 -15.7                0.00751              
 -15.8                0.00595              
 -15.9                0.00531              
 -16.                 0.00635              
 -16.1                0.00618              
 -16.2                0.00442              
 -16.3                0.00398              
 -16.4                0.00554              
 -16.5                0.00701              
 -16.6                0.00607              
 -16.7                0.00466              
 -16.8                0.00630              
 -16.9                0.00820              
 -17.                 0.00822              
 -17.1                0.00884              
 -17.2                0.00942              
 -17.3                0.00939              
 -17.4                0.00906              
 -17.5                0.00884              
 -17.6                0.00912              
 -17.7                0.00964              
 -17.8                0.01130              
 -17.9                0.01224              
 -18.                 0.01090              
 -18.1                0.00948              
 -18.2                0.01004              
 -18.3                0.01247              
 -18.4                0.01304              
 -18.5                0.01125              
 -18.6                0.01088              
 -18.7                0.01271              
 -18.8                0.01419              
 -18.9                0.01518              
 -19.                 0.01806              
 -19.1                0.02102              
 -19.2                0.02304              
 -19.3                0.02448              
 -19.4                0.02716              
 -19.5                0.03202              
 -19.6                0.03762              
 -19.7                0.04339              
 -19.8                0.05042              
 -19.9                0.05927              
 -20.                 0.07158              
 -20.1                0.09074              
 -20.2                0.11327              
 -20.3                0.13891              
 -20.4                0.16864              
 -20.5                0.20287              
 -20.6                0.24328              
 -20.7                0.28791              
 -20.8                0.33825              
 -20.9                0.38704              
 -21.                 0.43906              
 -21.1                0.49605              
 -21.2                0.54097              
 -21.3                0.56970              
 -21.4                0.58475              
 -21.5                0.58349              
 -21.6                0.56348              
 -21.7                0.52836              
 -21.8                0.48262              
 -21.9                0.43135              
 -22.                 0.37758              
 -22.1                0.32382              
 -22.2                0.26850              
 -22.3                0.21211              
 -22.4                0.16895              
 -22.5                0.13428              
 -22.6                0.10451              
 -22.7                0.08103              
 -22.8                0.06162              
 -22.9                0.04751              
 -23.                 0.03643              
 -23.1                0.02781              
 -23.2                0.02074              
 -23.3                0.01557              
 -23.4                0.01362              
 -23.5                0.01209              
 -23.6                0.01209              
 -23.7                0.01362              
 -23.8                0.01415              
 -23.9                0.01418              
 -24.                 0.01488              
 -24.1                0.01665              
 -24.2                0.01981              
 -24.3                0.02320              
 -24.4                0.02701              
 -24.5                0.03292              
 -24.6                0.04090              
 -24.7                0.05070              
 -24.8                0.06551              
 -24.9                0.08523              
 -25.                 0.11021              
 -25.1                0.14001              
 -25.2                0.17298              
 -25.3                0.21257              
 -25.4                0.26209              
 -25.5                0.32322              
 -25.6                0.38776              
 -25.7                0.45217              
 -25.8                0.51531              
 -25.9                0.58314              
 -26.                 0.64919              
 -26.1                0.70160              
 -26.2                0.74186              
 -26.3                0.77308              
 -26.4                0.79418              
 -26.5                0.80522              
 -26.6                0.80569              
 -26.7                0.79772              
 -26.8                0.78735              
 -26.9                0.77448              
 -27.                 0.75781              
 -27.1                0.73636              
 -27.2                0.71043              
 -27.3                0.68261              
 -27.4                0.64961              
 -27.5                0.61078              
 -27.6                0.56318              
 -27.7                0.50689              
 -27.8                0.45149              
 -27.9                0.39983              
 -28.                 0.34789              
 -28.1                0.29524              
 -28.2                0.24769              
 -28.3                0.20790              
 -28.4                0.17324              
 -28.5                0.14330              
 -28.6                0.11804              
 -28.7                0.09565              
 -28.8                0.07768              
 -28.9                0.06264              
 -29.                 0.05006              
 -29.1                0.04191              
 -29.2                0.03623              
 -29.3                0.03214              
 -29.4                0.03025              
 -29.5                0.03028              
 -29.6                0.03280              
 -29.7                0.03827              
 -29.8                0.04625              
 -29.9                0.05706              
 -30.                 0.06983              
 -30.1                0.08447              
 -30.2                0.10353              
 -30.3                0.12853              
 -30.4                0.15781              
 -30.5                0.18989              
 -30.6                0.22475              
 -30.7                0.26229              
 -30.8                0.30898              
 -30.9                0.35845              
 -31.                 0.40789              
 -31.1                0.45580              
 -31.2                0.49792              
 -31.3                0.53509              
 -31.4                0.56503              
 -31.5                0.58352              
 -31.6                0.58703              
 -31.7                0.57752              
 -31.8                0.55606              
 -31.9                0.52519              
 -32.                 0.48581              
 -32.1                0.43963              
 -32.2                0.39215              
 -32.3                0.34344              
 -32.4                0.29616              
 -32.5                0.25163              
 -32.6                0.21337              
 -32.7                0.17900              
 -32.8                0.14654              
 -32.9                0.11776              
 -33.                 0.09298              
 -33.1                0.07440              
 -33.2                0.05843              
 -33.3                0.04518              
 -33.4                0.03540              
 -33.5                0.02838              
 -33.6                0.02106              
 -33.7                0.01552              
 -33.8                0.01263              
 -33.9                0.01030              
 -34.                 0.00931              
 -34.1                0.00857              
 -34.2                0.00702              
 -34.3                0.00508              
 -34.4                0.00361              
 -34.5                0.00347              
 -34.6                0.00278              
 -34.7                0.00072              
 -34.8               -0.00146              
 -34.9               -0.00216              
 -35.                -0.00096              
 -35.1               -0.00007              
 -35.2               -0.00072              
 -35.3               -0.00127              
 -35.4               -0.00129              
 -35.5               -0.00198              
 -35.6               -0.00240              
 -35.7               -0.00173              
 -35.8               -0.00149              
 -35.9               -0.00198              
 -36.                -0.00240              
 -36.1               -0.00245              
 -36.2               -0.00244              
 -36.3               -0.00244              
 -36.4               -0.00244              
 -36.5               -0.00244              
 -36.6               -0.00273              
 -36.7               -0.00396              
 -36.8               -0.00544              
##END=
