##TITLE=              31P MAS NMR spectrum of JDF-2 with methylamine template (dehydrated 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 5a
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/14 15:40:06
##SOURCE REFERENCE=   AEN-31P-Ashbrook-2009-dehydrated
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AEN
##NAMES=              JDF-2
##SAMPLE DESCRIPTION= JDF-2, dehydrated

$$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 5a

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         3
##$PEAK LABELS=        P1/P3      P3/P1      P2        
##$PEAK TSITES=        T3/T1      T1/T3      T2        
##$PEAK POSITIONS=    -25.5872   -25.0142   -13.8807   
##$PEAK AREAS=         1.         1.         1.        
##$PEAK WIDTHS=        1.09049    1.09049    0.98327   
##$PEAK SHAPES=        0.47382    0.47382    0.47382   
##$NUMBERING REF=     Chippindale et al. Acta Crystallographica Section C Crystal Structure Communications, 50, 1537-1540 (1994)
##$ASSIGN REF=        Ashbrook et al. Journal of Physical Chemistry C, 113, 10780-10789 (2009) Table 1
##$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=             -10.1                 
##LASTX=              -33.8                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            238
##FIRSTY=              0.02504              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -10.1                0.02504              
 -10.2                0.02504              
 -10.3                0.02503              
 -10.4                0.02504              
 -10.5                0.02502              
 -10.6                0.02509              
 -10.7                0.02486              
 -10.8                0.02589              
 -10.9                0.02864              
 -11.                 0.02918              
 -11.1                0.03044              
 -11.2                0.03308              
 -11.3                0.03372              
 -11.4                0.03362              
 -11.5                0.03368              
 -11.6                0.03355              
 -11.7                0.03442              
 -11.8                0.03947              
 -11.9                0.04266              
 -12.                 0.04276              
 -12.1                0.04581              
 -12.2                0.04928              
 -12.3                0.05165              
 -12.4                0.05434              
 -12.5                0.06002              
 -12.6                0.06632              
 -12.7                0.07572              
 -12.8                0.08799              
 -12.9                0.10692              
 -13.                 0.13181              
 -13.1                0.17507              
 -13.2                0.23123              
 -13.3                0.30839              
 -13.4                0.41159              
 -13.5                0.51655              
 -13.6                0.63010              
 -13.7                0.72972              
 -13.8                0.78581              
 -13.9                0.81302              
 -14.                 0.77620              
 -14.1                0.70033              
 -14.2                0.60417              
 -14.3                0.48048              
 -14.4                0.36419              
 -14.5                0.27663              
 -14.6                0.19779              
 -14.7                0.14654              
 -14.8                0.10786              
 -14.9                0.08572              
 -15.                 0.06581              
 -15.1                0.05501              
 -15.2                0.05036              
 -15.3                0.04451              
 -15.4                0.04061              
 -15.5                0.03610              
 -15.6                0.03031              
 -15.7                0.02610              
 -15.8                0.02493              
 -15.9                0.02506              
 -16.                 0.02504              
 -16.1                0.02500              
 -16.2                0.02517              
 -16.3                0.02439              
 -16.4                0.02194              
 -16.5                0.02062              
 -16.6                0.02057              
 -16.7                0.01886              
 -16.8                0.01707              
 -16.9                0.01631              
 -17.                 0.01645              
 -17.1                0.01643              
 -17.2                0.01638              
 -17.3                0.01659              
 -17.4                0.01528              
 -17.5                0.01231              
 -17.6                0.01334              
 -17.7                0.01617              
 -17.8                0.01645              
 -17.9                0.01638              
 -18.                 0.01656              
 -18.1                0.01579              
 -18.2                0.01361              
 -18.3                0.01460              
 -18.4                0.01628              
 -18.5                0.01340              
 -18.6                0.01476              
 -18.7                0.01663              
 -18.8                0.01379              
 -18.9                0.00962              
 -19.                 0.00755              
 -19.1                0.00796              
 -19.2                0.00735              
 -19.3                0.00998              
 -19.4                0.01553              
 -19.5                0.01534              
 -19.6                0.00974              
 -19.7                0.00937              
 -19.8                0.01501              
 -19.9                0.01705              
 -20.                 0.01393              
 -20.1                0.00946              
 -20.2                0.01162              
 -20.3                0.01568              
 -20.4                0.01573              
 -20.5                0.01207              
 -20.6                0.00968              
 -20.7                0.01250              
 -20.8                0.01241              
 -20.9                0.00857              
 -21.                 0.00771              
 -21.1                0.00784              
 -21.2                0.00781              
 -21.3                0.00782              
 -21.4                0.00781              
 -21.5                0.00781              
 -21.6                0.00781              
 -21.7                0.00781              
 -21.8                0.00781              
 -21.9                0.00782              
 -22.                 0.00779              
 -22.1                0.00788              
 -22.2                0.00756              
 -22.3                0.00876              
 -22.4                0.01454              
 -22.5                0.01675              
 -22.6                0.01634              
 -22.7                0.01645              
 -22.8                0.01651              
 -22.9                0.02004              
 -23.                 0.02472              
 -23.1                0.02457              
 -23.2                0.02735              
 -23.3                0.03324              
 -23.4                0.03781              
 -23.5                0.04160              
 -23.6                0.04953              
 -23.7                0.06048              
 -23.8                0.07768              
 -23.9                0.09968              
 -24.                 0.13129              
 -24.1                0.17622              
 -24.2                0.22545              
 -24.3                0.29655              
 -24.4                0.38055              
 -24.5                0.48598              
 -24.6                0.60300              
 -24.7                0.72095              
 -24.8                0.84368              
 -24.9                0.94726              
 -25.                 1.05011              
 -25.1                1.12938              
 -25.2                1.17326              
 -25.3                1.20075              
 -25.4                1.18202              
 -25.5                1.12806              
 -25.6                1.05588              
 -25.7                0.95677              
 -25.8                0.84378              
 -25.9                0.71605              
 -26.                 0.59382              
 -26.1                0.48701              
 -26.2                0.38187              
 -26.3                0.30238              
 -26.4                0.23051              
 -26.5                0.17782              
 -26.6                0.13219              
 -26.7                0.10525              
 -26.8                0.08311              
 -26.9                0.06726              
 -27.                 0.05587              
 -27.1                0.04793              
 -27.2                0.04228              
 -27.3                0.03442              
 -27.4                0.03036              
 -27.5                0.02409              
 -27.6                0.01745              
 -27.7                0.01573              
 -27.8                0.01305              
 -27.9                0.00930              
 -28.                 0.00760              
 -28.1                0.00784              
 -28.2                0.00791              
 -28.3                0.00725              
 -28.4                0.00381              
 -28.5                0.00015              
 -28.6               -0.00091              
 -28.7               -0.00075              
 -28.8               -0.00079              
 -28.9               -0.00078              
 -29.                -0.00079              
 -29.1               -0.00079              
 -29.2               -0.00079              
 -29.3               -0.00079              
 -29.4               -0.00079              
 -29.5               -0.00079              
 -29.6               -0.00079              
 -29.7               -0.00079              
 -29.8               -0.00079              
 -29.9               -0.00079              
 -30.                -0.00079              
 -30.1               -0.00079              
 -30.2               -0.00079              
 -30.3               -0.00078              
 -30.4               -0.00081              
 -30.5               -0.00071              
 -30.6               -0.00146              
 -30.7               -0.00687              
 -30.8               -0.00844              
 -30.9               -0.00326              
 -31.                -0.00423              
 -31.1               -0.00664              
 -31.2               -0.00389              
 -31.3               -0.00108              
 -31.4               -0.00075              
 -31.5               -0.00080              
 -31.6               -0.00079              
 -31.7               -0.00078              
 -31.8               -0.00082              
 -31.9               -0.00067              
 -32.                -0.00135              
 -32.1               -0.00401              
 -32.2               -0.00791              
 -32.3               -0.00922              
 -32.4               -0.00579              
 -32.5               -0.00185              
 -32.6               -0.00180              
 -32.7               -0.00728              
 -32.8               -0.00972              
 -32.9               -0.00931              
 -33.                -0.00943              
 -33.1               -0.00935              
 -33.2               -0.00954              
 -33.3               -0.00874              
 -33.4               -0.00608              
 -33.5               -0.00520              
 -33.6               -0.00779              
 -33.7               -0.00965              
 -33.8               -0.00932              
##END=
