##TITLE=              31P MAS NMR spectrum of calcined STA-2
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Castro et al. Journal of Physical Chemistry C, 114, 12698-12710 (2010) Figure 9b
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/22 11:47:00
##SOURCE REFERENCE=   SAT-31P-Castro-2010-calcined
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              SAT
##NAMES=              STA-2
##SAMPLE DESCRIPTION= STA-2, calcined

$$Bibliographic information 
##$AUTHORS=           Castro, M., Seymour, V.R., Carnevale, D., Griffin, J.M., Ashbrook, S.E., Wright, P.A., Apperley, D.C., Parker, J.E., Thompson, S.P., Fecant, A., Bats, N.
##$TITLE=             Molecular modeling, multinuclear NMR, and diffraction studies in the templated synthesis and characterization of the aluminophosphate molecular sieve sta-2
##$JOURNAL=           Journal of Physical Chemistry C
##$VOLUME=            114
##$PAGES=             12698-12710
##$YEAR=              2010
##$DOI=               10.1021/jp104120y
##$FIGURE=            Figure 9b

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         2
##$PEAK LABELS=        P2         P1        
##$PEAK TSITES=        T1         T2        
##$PEAK POSITIONS=    -34.7895   -29.5265   
##$PEAK AREAS=         1.         1.        
##$PEAK WIDTHS=        1.66902    1.25194   
##$PEAK SHAPES=        0.11186    0.11186   
##$NUMBERING REF=     
##$ASSIGN REF=        Castro et al. Journal of Physical Chemistry C, 114, 12698-12710 (2010) Figure 9d, Table 4
##$ASSIGN METHOD=     2D correlation NMR, quantum chemical calculations
##$COMMENT=           Peak assignments based on a 2D 27Al/31P correlation spectrum and plane-wave DFT calculations

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 242.9
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     10000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -19.98                
##LASTX=              -44.82                
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            277
##FIRSTY=              0.00339              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -19.98               0.00339              
 -20.07               0.00394              
 -20.16               0.00414              
 -20.25               0.00411              
 -20.34               0.00412              
 -20.43               0.00411              
 -20.52               0.00413              
 -20.61               0.00408              
 -20.7                0.00439              
 -20.79               0.00533              
 -20.88               0.00532              
 -20.97               0.00434              
 -21.06               0.00441              
 -21.15               0.00533              
 -21.24               0.00561              
 -21.33               0.00558              
 -21.42               0.00563              
 -21.51               0.00547              
 -21.6                0.00628              
 -21.69               0.00815              
 -21.78               0.00824              
 -21.87               0.00717              
 -21.96               0.00607              
 -22.05               0.00551              
 -22.14               0.00560              
 -22.23               0.00562              
 -22.32               0.00541              
 -22.41               0.00484              
 -22.5                0.00453              
 -22.59               0.00480              
 -22.68               0.00539              
 -22.77               0.00563              
 -22.86               0.00558              
 -22.95               0.00558              
 -23.04               0.00561              
 -23.13               0.00541              
 -23.22               0.00455              
 -23.31               0.00395              
 -23.4                0.00462              
 -23.49               0.00548              
 -23.58               0.00561              
 -23.67               0.00558              
 -23.76               0.00559              
 -23.85               0.00559              
 -23.94               0.00559              
 -24.03               0.00559              
 -24.12               0.00559              
 -24.21               0.00559              
 -24.3                0.00559              
 -24.39               0.00559              
 -24.48               0.00559              
 -24.57               0.00559              
 -24.66               0.00559              
 -24.75               0.00559              
 -24.84               0.00559              
 -24.93               0.00559              
 -25.02               0.00559              
 -25.11               0.00559              
 -25.2                0.00559              
 -25.29               0.00559              
 -25.38               0.00558              
 -25.47               0.00562              
 -25.56               0.00550              
 -25.65               0.00610              
 -25.74               0.00769              
 -25.83               0.00755              
 -25.92               0.00601              
 -26.01               0.00553              
 -26.1                0.00560              
 -26.19               0.00559              
 -26.28               0.00556              
 -26.37               0.00577              
 -26.46               0.00646              
 -26.55               0.00788              
 -26.64               0.00866              
 -26.73               0.00851              
 -26.82               0.00853              
 -26.91               0.00858              
 -27.                 0.00827              
 -27.09               0.00796              
 -27.18               0.00832              
 -27.27               0.00879              
 -27.36               0.00953              
 -27.45               0.01085              
 -27.54               0.01197              
 -27.63               0.01318              
 -27.72               0.01545              
 -27.81               0.01764              
 -27.9                0.02125              
 -27.99               0.02588              
 -28.08               0.03305              
 -28.17               0.04251              
 -28.26               0.05695              
 -28.35               0.07457              
 -28.44               0.10212              
 -28.53               0.13527              
 -28.62               0.18017              
 -28.71               0.23338              
 -28.8                0.29358              
 -28.89               0.36201              
 -28.98               0.43024              
 -29.07               0.50538              
 -29.16               0.56998              
 -29.25               0.63561              
 -29.34               0.67449              
 -29.43               0.71324              
 -29.52               0.71932              
 -29.61               0.71863              
 -29.7                0.68498              
 -29.79               0.64884              
 -29.88               0.58908              
 -29.97               0.52106              
 -30.06               0.44580              
 -30.15               0.37431              
 -30.24               0.30693              
 -30.33               0.23697              
 -30.42               0.18338              
 -30.51               0.13200              
 -30.6                0.09763              
 -30.69               0.06685              
 -30.78               0.04839              
 -30.87               0.03176              
 -30.96               0.02419              
 -31.05               0.01685              
 -31.14               0.01350              
 -31.23               0.01053              
 -31.32               0.00963              
 -31.41               0.00880              
 -31.5                0.00852              
 -31.59               0.00858              
 -31.68               0.00847              
 -31.77               0.00686              
 -31.86               0.00539              
 -31.95               0.00606              
 -32.04               0.00732              
 -32.13               0.00842              
 -32.22               0.00919              
 -32.31               0.01093              
 -32.4                0.01282              
 -32.49               0.01418              
 -32.58               0.01576              
 -32.67               0.01845              
 -32.76               0.02143              
 -32.85               0.02495              
 -32.94               0.02919              
 -33.03               0.03545              
 -33.12               0.04301              
 -33.21               0.05372              
 -33.3                0.06530              
 -33.39               0.08268              
 -33.48               0.10105              
 -33.57               0.12538              
 -33.66               0.15203              
 -33.75               0.18367              
 -33.84               0.21825              
 -33.93               0.25809              
 -34.02               0.29839              
 -34.11               0.33836              
 -34.2                0.37856              
 -34.29               0.41682              
 -34.38               0.45374              
 -34.47               0.48316              
 -34.56               0.51010              
 -34.65               0.52427              
 -34.74               0.53791              
 -34.83               0.53652              
 -34.92               0.53146              
 -35.01               0.51492              
 -35.1                0.49102              
 -35.19               0.46380              
 -35.28               0.42579              
 -35.37               0.38672              
 -35.46               0.34745              
 -35.55               0.30233              
 -35.64               0.26188              
 -35.73               0.22051              
 -35.82               0.18764              
 -35.91               0.15062              
 -36.                 0.12294              
 -36.09               0.09427              
 -36.18               0.07580              
 -36.27               0.05626              
 -36.36               0.04493              
 -36.45               0.03364              
 -36.54               0.02682              
 -36.63               0.02049              
 -36.72               0.01672              
 -36.81               0.01244              
 -36.9                0.01049              
 -36.99               0.00843              
 -37.08               0.00660              
 -37.17               0.00548              
 -37.26               0.00523              
 -37.35               0.00437              
 -37.44               0.00367              
 -37.53               0.00289              
 -37.62               0.00222              
 -37.71               0.00121              
 -37.8                0.00012              
 -37.89              -0.00038              
 -37.98              -0.00028              
 -38.07              -0.00031              
 -38.16              -0.00030              
 -38.25              -0.00030              
 -38.34              -0.00030              
 -38.43              -0.00030              
 -38.52              -0.00030              
 -38.61              -0.00030              
 -38.7               -0.00030              
 -38.79              -0.00030              
 -38.88              -0.00030              
 -38.97              -0.00030              
 -39.06              -0.00034              
 -39.15              -0.00138              
 -39.24              -0.00299              
 -39.33              -0.00300              
 -39.42              -0.00206              
 -39.51              -0.00100              
 -39.6               -0.00087              
 -39.69              -0.00239              
 -39.78              -0.00336              
 -39.87              -0.00322              
 -39.96              -0.00326              
 -40.05              -0.00326              
 -40.14              -0.00322              
 -40.23              -0.00343              
 -40.32              -0.00383              
 -40.41              -0.00354              
 -40.5               -0.00320              
 -40.59              -0.00326              
 -40.68              -0.00325              
 -40.77              -0.00325              
 -40.86              -0.00325              
 -40.95              -0.00325              
 -41.04              -0.00325              
 -41.13              -0.00325              
 -41.22              -0.00325              
 -41.31              -0.00326              
 -41.4               -0.00321              
 -41.49              -0.00345              
 -41.58              -0.00398              
 -41.67              -0.00451              
 -41.76              -0.00477              
 -41.85              -0.00472              
 -41.94              -0.00473              
 -42.03              -0.00473              
 -42.12              -0.00473              
 -42.21              -0.00473              
 -42.3               -0.00473              
 -42.39              -0.00473              
 -42.48              -0.00473              
 -42.57              -0.00473              
 -42.66              -0.00473              
 -42.75              -0.00473              
 -42.84              -0.00473              
 -42.93              -0.00473              
 -43.02              -0.00473              
 -43.11              -0.00473              
 -43.2               -0.00473              
 -43.29              -0.00473              
 -43.38              -0.00473              
 -43.47              -0.00473              
 -43.56              -0.00473              
 -43.65              -0.00473              
 -43.74              -0.00473              
 -43.83              -0.00473              
 -43.92              -0.00473              
 -44.01              -0.00473              
 -44.1               -0.00473              
 -44.19              -0.00473              
 -44.28              -0.00473              
 -44.37              -0.00473              
 -44.46              -0.00473              
 -44.55              -0.00473              
 -44.64              -0.00473              
 -44.73              -0.00473              
 -44.82              -0.00473              
##END=
