##TITLE=              31P MAS NMR spectrum of AlPO-53(B) (calcined from AlPO-53(A))
##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 4b
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/14 15:45:55
##SOURCE REFERENCE=   AEN-31P-Ashbrook-2009-calcined
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AEN
##NAMES=              AlPO-53(B)
##SAMPLE DESCRIPTION= AlPO-53(B), calcined

$$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 4b

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         3
##$PEAK LABELS=        P1         P2         P3        
##$PEAK TSITES=        T1         T2         T3        
##$PEAK POSITIONS=    -31.9912   -30.2185   -27.2632   
##$PEAK AREAS=         1.         1.         1.        
##$PEAK WIDTHS=        1.54902    1.60855    1.53371   
##$PEAK SHAPES=        0.42674    0.42674    0.42674   
##$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=             -22.96                
##LASTX=              -36.4                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            169
##FIRSTY=              0.01291              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -22.96               0.01291              
 -23.04               0.01298              
 -23.12               0.01298              
 -23.2                0.01295              
 -23.28               0.01284              
 -23.36               0.01286              
 -23.44               0.01308              
 -23.52               0.01377              
 -23.6                0.01446              
 -23.68               0.01491              
 -23.76               0.01526              
 -23.84               0.01566              
 -23.92               0.01593              
 -24.                 0.01589              
 -24.08               0.01590              
 -24.16               0.01590              
 -24.24               0.01589              
 -24.32               0.01596              
 -24.4                0.01655              
 -24.48               0.01766              
 -24.56               0.01860              
 -24.64               0.01850              
 -24.72               0.01768              
 -24.8                0.01795              
 -24.88               0.01979              
 -24.96               0.02174              
 -25.04               0.02282              
 -25.12               0.02362              
 -25.2                0.02532              
 -25.28               0.02812              
 -25.36               0.03185              
 -25.44               0.03641              
 -25.52               0.04160              
 -25.6                0.04820              
 -25.68               0.05548              
 -25.76               0.06396              
 -25.84               0.07472              
 -25.92               0.08803              
 -26.                 0.10429              
 -26.08               0.12252              
 -26.16               0.14338              
 -26.24               0.16778              
 -26.32               0.19545              
 -26.4                0.22597              
 -26.48               0.25868              
 -26.56               0.29352              
 -26.64               0.33115              
 -26.72               0.37053              
 -26.8                0.40930              
 -26.88               0.44533              
 -26.96               0.47774              
 -27.04               0.5058               
 -27.12               0.52759              
 -27.2                0.54097              
 -27.28               0.54417              
 -27.36               0.53702              
 -27.44               0.52117              
 -27.52               0.49812              
 -27.6                0.46889              
 -27.68               0.43566              
 -27.76               0.40045              
 -27.84               0.36428              
 -27.92               0.32852              
 -28.                 0.29474              
 -28.08               0.26351              
 -28.16               0.23522              
 -28.24               0.21030              
 -28.32               0.18894              
 -28.4                0.17120              
 -28.48               0.15760              
 -28.56               0.14853              
 -28.64               0.14297              
 -28.72               0.14272              
 -28.8                0.14608              
 -28.88               0.15316              
 -28.96               0.16396              
 -29.04               0.17803              
 -29.12               0.19607              
 -29.2                0.21796              
 -29.28               0.24310              
 -29.36               0.27153              
 -29.44               0.30268              
 -29.52               0.33512              
 -29.6                0.36871              
 -29.68               0.40264              
 -29.76               0.43614              
 -29.84               0.46790              
 -29.92               0.49566              
 -30.                 0.51820              
 -30.08               0.53549              
 -30.16               0.54732              
 -30.24               0.55258              
 -30.32               0.55118              
 -30.4                0.54471              
 -30.48               0.53426              
 -30.56               0.51987              
 -30.64               0.50302              
 -30.72               0.48604              
 -30.8                0.47132              
 -30.88               0.46035              
 -30.96               0.45274              
 -31.04               0.44824              
 -31.12               0.44815              
 -31.2                0.45230              
 -31.28               0.46147              
 -31.36               0.47399              
 -31.44               0.49005              
 -31.52               0.50942              
 -31.6                0.52934              
 -31.68               0.54765              
 -31.76               0.56211              
 -31.84               0.57178              
 -31.92               0.57525              
 -32.                 0.57094              
 -32.08               0.55839              
 -32.16               0.53853              
 -32.24               0.51263              
 -32.32               0.48225              
 -32.4                0.44839              
 -32.48               0.41199              
 -32.56               0.37528              
 -32.64               0.34043              
 -32.72               0.30652              
 -32.8                0.27309              
 -32.88               0.24080              
 -32.96               0.21073              
 -33.04               0.18421              
 -33.12               0.16051              
 -33.2                0.13867              
 -33.28               0.11928              
 -33.36               0.10329              
 -33.44               0.08992              
 -33.52               0.07805              
 -33.6                0.06769              
 -33.68               0.05876              
 -33.76               0.05126              
 -33.84               0.04543              
 -33.92               0.04032              
 -34.                 0.03580              
 -34.08               0.03188              
 -34.16               0.02852              
 -34.24               0.02600              
 -34.32               0.02415              
 -34.4                0.02334              
 -34.48               0.02248              
 -34.56               0.02088              
 -34.64               0.01925              
 -34.72               0.01826              
 -34.8                0.01760              
 -34.88               0.01734              
 -34.96               0.01736              
 -35.04               0.01738              
 -35.12               0.01728              
 -35.2                0.01665              
 -35.28               0.01601              
 -35.36               0.01593              
 -35.44               0.01601              
 -35.52               0.01552              
 -35.6                0.01441              
 -35.68               0.01343              
 -35.76               0.01331              
 -35.84               0.01397              
 -35.92               0.01436              
 -36.                 0.01401              
 -36.08               0.01325              
 -36.16               0.01247              
 -36.24               0.01222              
 -36.32               0.01222              
 -36.4                0.01197              
##END=
