##TITLE=              31P MAS NMR spectrum of as-made AlPO-34 (with fluoride and morpholine template)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Dawson et al. Journal of Physical Chemistry C, 121, 1781-1793 (2017) Figure 3
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/20 09:11:01
##SOURCE REFERENCE=   CHA-31P-Dawson-2017-asmade
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              CHA
##NAMES=              AlPO-34
##NAMES=              AlPO-CHA
##SAMPLE DESCRIPTION= AlPO-34, as-made

$$Bibliographic information 
##$AUTHORS=           Dawson, D.M., Griffin, J.M., Seymour, V.R., Wheatley, P.S., Amri, M., Kurkiewicz, T., Guillou, N., Wimperis, S., Walton, R.I., Ashbrook, S.E.
##$TITLE=             A multinuclear NMR study of six forms of AlPO-34: Structure and motional broadening
##$JOURNAL=           Journal of Physical Chemistry C
##$VOLUME=            121
##$PAGES=             1781-1793
##$YEAR=              2017
##$DOI=               10.1021/acs.jpcc.6b11908
##$FIGURE=            Figure 3

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         3
##$PEAK LABELS=        P1         P2         P3        
##$PEAK TSITES=        T1         T1         T1        
##$PEAK POSITIONS=    -29.8761   -23.8084   -7.67005   
##$PEAK AREAS=         1.         1.         1.        
##$PEAK WIDTHS=        1.43076    1.54468    1.10127   
##$PEAK SHAPES=        0.29658    0.29658    0.29658   
##$NUMBERING REF=     Harding and Kariuki. Acta Crystallographica Section C Crystal Structure Communications, 50, 852-854 (1994)
##$ASSIGN REF=        Dawson et al. Journal of Physical Chemistry C, 121, 1781-1793 (2017) Figure 4
##$ASSIGN METHOD=     average bond angles
##$COMMENT=           Peak assignments are based on average bond angles determined from the single-crystal XRD structure by Harding et al. Note that the site numbering is different than Ashbrook et al.

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 243.246
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     14000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=              4.9                  
##LASTX=              -39.9                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            449
##FIRSTY=              0.00476              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
  4.9                 0.00476              
  4.8                 0.00471              
  4.7                 0.00465              
  4.6                 0.00496              
  4.5                 0.00454              
  4.4                 0.00247              
  4.3                 0.00125              
  4.2                 0.00212              
  4.1                 0.00425              
  4.                  0.00500              
  3.9                 0.00467              
  3.8                 0.00469              
  3.7                 0.00474              
  3.6                 0.00472              
  3.5                 0.00472              
  3.4                 0.00472              
  3.3                 0.00472              
  3.2                 0.00472              
  3.1                 0.00472              
  3.                  0.00472              
  2.9                 0.00472              
  2.8                 0.00473              
  2.7                 0.00471              
  2.6                 0.00471              
  2.5                 0.00483              
  2.4                 0.00451              
  2.3                 0.00457              
  2.2                 0.00691              
  2.1                 0.00703              
  2.                  0.00476              
  1.9                 0.00630              
  1.8                 0.00802              
  1.7                 0.00763              
  1.6                 0.00754              
  1.5                 0.00765              
  1.4                 0.00762              
  1.3                 0.00761              
  1.2                 0.00762              
  1.1                 0.00762              
  1.                  0.00762              
  0.9                 0.00762              
  0.8                 0.00762              
  0.7                 0.00762              
  0.6                 0.00762              
  0.5                 0.00762              
  0.4                 0.00762              
  0.3                 0.00760              
  0.2                 0.00763              
  0.1                 0.00768              
  0.00000             0.00737              
 -0.1                 0.00785              
 -0.2                 0.00993              
 -0.3                 0.01110              
 -0.4                 0.01015              
 -0.5                 0.00801              
 -0.6                 0.00742              
 -0.7                 0.00758              
 -0.8                 0.00742              
 -0.9                 0.00908              
 -1.                  0.01076              
 -1.1                 0.01060              
 -1.2                 0.01042              
 -1.3                 0.01056              
 -1.4                 0.01056              
 -1.5                 0.01022              
 -1.6                 0.01104              
 -1.7                 0.01317              
 -1.8                 0.01398              
 -1.9                 0.01270              
 -2.                  0.01065              
 -2.1                 0.01028              
 -2.2                 0.01058              
 -2.3                 0.01052              
 -2.4                 0.01050              
 -2.5                 0.01050              
 -2.6                 0.01051              
 -2.7                 0.01062              
 -2.8                 0.01026              
 -2.9                 0.01051              
 -3.                  0.01285              
 -3.1                 0.01279              
 -3.2                 0.01047              
 -3.3                 0.01028              
 -3.4                 0.01060              
 -3.5                 0.01051              
 -3.6                 0.01058              
 -3.7                 0.01028              
 -3.8                 0.01065              
 -3.9                 0.01276              
 -4.                  0.01372              
 -4.1                 0.01337              
 -4.2                 0.01337              
 -4.3                 0.01343              
 -4.4                 0.01341              
 -4.5                 0.01341              
 -4.6                 0.01339              
 -4.7                 0.01343              
 -4.8                 0.01348              
 -4.9                 0.01310              
 -5.                  0.01380              
 -5.1                 0.01599              
 -5.2                 0.01626              
 -5.3                 0.01673              
 -5.4                 0.01896              
 -5.5                 0.01893              
 -5.6                 0.02007              
 -5.7                 0.02438              
 -5.8                 0.02650              
 -5.9                 0.02931              
 -6.                  0.03558              
 -6.1                 0.04274              
 -6.2                 0.05208              
 -6.3                 0.06417              
 -6.4                 0.07770              
 -6.5                 0.09862              
 -6.6                 0.12713              
 -6.7                 0.15613              
 -6.8                 0.19466              
 -6.9                 0.24850              
 -7.                  0.31407              
 -7.1                 0.38944              
 -7.2                 0.47630              
 -7.3                 0.57301              
 -7.4                 0.65337              
 -7.5                 0.72226              
 -7.6                 0.79709              
 -7.7                 0.81307              
 -7.8                 0.76553              
 -7.9                 0.70392              
 -8.                  0.62509              
 -8.1                 0.52733              
 -8.2                 0.42340              
 -8.3                 0.33636              
 -8.4                 0.26464              
 -8.5                 0.19638              
 -8.6                 0.14389              
 -8.7                 0.11017              
 -8.8                 0.08853              
 -8.9                 0.07137              
 -9.                  0.05726              
 -9.1                 0.04744              
 -9.2                 0.04051              
 -9.3                 0.03556              
 -9.4                 0.03175              
 -9.5                 0.02763              
 -9.6                 0.02430              
 -9.7                 0.02249              
 -9.8                 0.02032              
 -9.9                 0.01908              
 -10.                 0.01927              
 -10.1                0.01793              
 -10.2                0.01547              
 -10.3                0.01357              
 -10.4                0.01314              
 -10.5                0.01362              
 -10.6                0.01353              
 -10.7                0.01161              
 -10.8                0.01022              
 -10.9                0.01048              
 -11.                 0.01060              
 -11.1                0.01044              
 -11.2                0.01050              
 -11.3                0.01083              
 -11.4                0.00966              
 -11.5                0.00762              
 -11.6                0.00741              
 -11.7                0.00770              
 -11.8                0.00761              
 -11.9                0.00760              
 -12.                 0.00762              
 -12.1                0.00762              
 -12.2                0.00761              
 -12.3                0.00763              
 -12.4                0.00761              
 -12.5                0.00755              
 -12.6                0.00785              
 -12.7                0.00744              
 -12.8                0.00538              
 -12.9                0.00415              
 -13.                 0.00501              
 -13.1                0.00714              
 -13.2                0.00789              
 -13.3                0.00757              
 -13.4                0.00761              
 -13.5                0.00756              
 -13.6                0.00771              
 -13.7                0.00784              
 -13.8                0.00614              
 -13.9                0.00449              
 -14.                 0.00465              
 -14.1                0.00469              
 -14.2                0.00486              
 -14.3                0.00494              
 -14.4                0.00279              
 -14.5                0.00211              
 -14.6                0.00446              
 -14.7                0.00505              
 -14.8                0.00462              
 -14.9                0.00471              
 -15.                 0.00474              
 -15.1                0.00471              
 -15.2                0.00472              
 -15.3                0.00472              
 -15.4                0.00472              
 -15.5                0.00472              
 -15.6                0.00472              
 -15.7                0.00472              
 -15.8                0.00472              
 -15.9                0.00474              
 -16.                 0.00466              
 -16.1                0.00473              
 -16.2                0.00502              
 -16.3                0.00372              
 -16.4                0.00175              
 -16.5                0.00165              
 -16.6                0.00191              
 -16.7                0.00182              
 -16.8                0.00181              
 -16.9                0.00183              
 -17.                 0.00182              
 -17.1                0.00182              
 -17.2                0.00183              
 -17.3                0.00182              
 -17.4                0.00182              
 -17.5                0.00182              
 -17.6                0.00182              
 -17.7                0.00182              
 -17.8                0.00182              
 -17.9                0.00182              
 -18.                 0.00182              
 -18.1                0.00183              
 -18.2                0.00182              
 -18.3                0.00181              
 -18.4                0.00190              
 -18.5                0.00171              
 -18.6                0.00166              
 -18.7                0.00337              
 -18.8                0.00513              
 -18.9                0.00493              
 -19.                 0.00294              
 -19.1                0.00156              
 -19.2                0.00179              
 -19.3                0.00189              
 -19.4                0.00181              
 -19.5                0.00182              
 -19.6                0.00183              
 -19.7                0.00182              
 -19.8                0.00182              
 -19.9                0.00182              
 -20                  0.00183              
 -20.1                0.00182              
 -20.2                0.00180              
 -20.3                0.00189              
 -20.4                0.00182              
 -20.5                0.00150              
 -20.6                0.00288              
 -20.7                0.00477              
 -20.8                0.00461              
 -20.9                0.00567              
 -21.                 0.00775              
 -21.1                0.00795              
 -21.2                0.00700              
 -21.3                0.00801              
 -21.4                0.01233              
 -21.5                0.01370              
 -21.6                0.01361              
 -21.7                0.01730              
 -21.8                0.02380              
 -21.9                0.02834              
 -22.                 0.02963              
 -22.1                0.03679              
 -22.2                0.04763              
 -22.3                0.05713              
 -22.4                0.06900              
 -22.5                0.08446              
 -22.6                0.10399              
 -22.7                0.12990              
 -22.8                0.16325              
 -22.9                0.20279              
 -23.                 0.24547              
 -23.1                0.29431              
 -23.2                0.34766              
 -23.3                0.39468              
 -23.4                0.43753              
 -23.5                0.47832              
 -23.6                0.51221              
 -23.7                0.53870              
 -23.8                0.55198              
 -23.9                0.54153              
 -24.                 0.51779              
 -24.1                0.48704              
 -24.2                0.44541              
 -24.3                0.40092              
 -24.4                0.35558              
 -24.5                0.30452              
 -24.6                0.25643              
 -24.7                0.21513              
 -24.8                0.17722              
 -24.9                0.14322              
 -25.                 0.11305              
 -25.1                0.08643              
 -25.2                0.06684              
 -25.3                0.05268              
 -25.4                0.04019              
 -25.5                0.03284              
 -25.6                0.02684              
 -25.7                0.01667              
 -25.8                0.00951              
 -25.9                0.00753              
 -26.                 0.00770              
 -26.1                0.00665              
 -26.2                0.00422              
 -26.3                0.00216              
 -26.4                0.00161              
 -26.5                0.00187              
 -26.6                0.00184              
 -26.7                0.00181              
 -26.8                0.00182              
 -26.9                0.00182              
 -27.                 0.00188              
 -27.1                0.00174              
 -27.2                0.00170              
 -27.3                0.00310              
 -27.4                0.00561              
 -27.5                0.00754              
 -27.6                0.00720              
 -27.7                0.00879              
 -27.8                0.01307              
 -27.9                0.01464              
 -28.                 0.01881              
 -28.1                0.02727              
 -28.2                0.03356              
 -28.3                0.03926              
 -28.4                0.04768              
 -28.5                0.06039              
 -28.6                0.07621              
 -28.7                0.09712              
 -28.8                0.12709              
 -28.9                0.16111              
 -29.                 0.19978              
 -29.1                0.24892              
 -29.2                0.30460              
 -29.3                0.36125              
 -29.4                0.41583              
 -29.5                0.47086              
 -29.6                0.51793              
 -29.7                0.54753              
 -29.8                0.57497              
 -29.9                0.58971              
 -30.                 0.57188              
 -30.1                0.53829              
 -30.2                0.49902              
 -30.3                0.45320              
 -30.4                0.39630              
 -30.5                0.33459              
 -30.6                0.27769              
 -30.7                0.22652              
 -30.8                0.17947              
 -30.9                0.13623              
 -31.                 0.10041              
 -31.1                0.07395              
 -31.2                0.05490              
 -31.3                0.03744              
 -31.4                0.02525              
 -31.5                0.02010              
 -31.6                0.01411              
 -31.7                0.00954              
 -31.8                0.00800              
 -31.9                0.00406              
 -32.                 0.00144              
 -32.1                0.00186              
 -32.2                0.00020              
 -32.3               -0.00144              
 -32.4               -0.00112              
 -32.5               -0.00068              
 -32.6               -0.00185              
 -32.7               -0.00390              
 -32.8               -0.00418              
 -32.9               -0.00388              
 -33.                -0.00396              
 -33.1               -0.00397              
 -33.2               -0.00395              
 -33.3               -0.00396              
 -33.4               -0.00396              
 -33.5               -0.00396              
 -33.6               -0.00396              
 -33.7               -0.00396              
 -33.8               -0.00396              
 -33.9               -0.00396              
 -34.                -0.00396              
 -34.1               -0.00396              
 -34.2               -0.00396              
 -34.3               -0.00396              
 -34.4               -0.00396              
 -34.5               -0.00395              
 -34.6               -0.00394              
 -34.7               -0.00403              
 -34.8               -0.00389              
 -34.9               -0.00373              
 -35.                -0.00526              
 -35.1               -0.00716              
 -35.2               -0.00718              
 -35.3               -0.00532              
 -35.4               -0.00374              
 -35.5               -0.00388              
 -35.6               -0.00403              
 -35.7               -0.00393              
 -35.8               -0.00394              
 -35.9               -0.00404              
 -36.                -0.00382              
 -36.1               -0.00380              
 -36.2               -0.00566              
 -36.3               -0.00713              
 -36.4               -0.00689              
 -36.5               -0.00681              
 -36.6               -0.00683              
 -36.7               -0.00683              
 -36.8               -0.00716              
 -36.9               -0.00609              
 -37.                -0.00402              
 -37.1               -0.00373              
 -37.2               -0.00404              
 -37.3               -0.00396              
 -37.4               -0.00395              
 -37.5               -0.00395              
 -37.6               -0.00396              
 -37.7               -0.00403              
 -37.8               -0.00375              
 -37.9               -0.00402              
 -38.                -0.00601              
 -38.1               -0.00747              
 -38.2               -0.00667              
 -38.3               -0.00427              
 -38.4               -0.00488              
 -38.5               -0.00697              
 -38.6               -0.00676              
 -38.7               -0.00799              
 -38.8               -0.00991              
 -38.9               -0.00982              
 -39.                -0.00993              
 -39.1               -0.00947              
 -39.2               -0.00733              
 -39.3               -0.00655              
 -39.4               -0.00691              
 -39.5               -0.00688              
 -39.6               -0.00683              
 -39.7               -0.00686              
 -39.8               -0.00685              
 -39.9               -0.00685              
##END=
