##TITLE=              31P MAS NMR spectrum of hydrated PST-6 (calcined from PST-5)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Lee et al. Angew. Chem. Int. Ed., 53, 7480-7483 (2014) Figure S2c
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/22 10:27:59
##SOURCE REFERENCE=   PSI-31P-Lee-2014-hydrated
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              PSI
##NAMES=              PST-6
##SAMPLE DESCRIPTION= PST-6, hydrated

$$Bibliographic information 
##$AUTHORS=           Lee, J.K., Turrina, A., Zhu, L., Seo, S., Zhang, D., Cox, P.A., Wright, P.A., Qiu, S., Hong, S.B.
##$TITLE=             An Aluminophosphate Molecular Sieve with 36 Crystallographically Distinct Tetrahedral Sites
##$JOURNAL=           Angewandte Chemie International Edition
##$VOLUME=            53
##$PAGES=             7480-7483
##$YEAR=              2014
##$DOI=               10.1002/anie.201402495
##$FIGURE=            Figure S2c

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         18
##$PEAK LABELS=        A          B          C          D          E          F          G          H          I          J          K          L          M          N          O          P          Q          R         
##$PEAK TSITES=       
##$PEAK POSITIONS=    -34.9251   -34.8251   -33.9173   -32.5649   -32.5149   -32.4649   -32.4149   -31.3663   -30.1119   -30.0669   -30.0169   -29.9619   -29.5795   -29.5295   -29.4795   -27.4951   -27.3951   -26.0604   
##$PEAK AREAS=         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.        
##$PEAK WIDTHS=        2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757    2.89757   
##$PEAK SHAPES=        0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929    0.26929   
##$NUMBERING REF=     Lee et al. Angew. Chem. Int. Ed., 53, 7480-7483 (2014)
##$ASSIGN REF=        
##$ASSIGN METHOD=     
##$COMMENT=           Peak assignments are not available

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 242.865
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     22000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -0.2                  
##LASTX=              -49.6                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            248
##FIRSTY=              0.00390              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -0.2                 0.00390              
 -0.4                 0.00672              
 -0.6                 0.00105              
 -0.8                -0.00114              
 -1.                 -0.00124              
 -1.2                 0.00209              
 -1.4                 0.00698              
 -1.6                 0.00304              
 -1.8                -0.00114              
 -2.                 -0.00123              
 -2.2                -0.00139              
 -2.4                 0.00461              
 -2.6                 0.01032              
 -2.8                 0.00605              
 -3.                 -0.00102              
 -3.2                 0.00422              
 -3.4                 0.00685              
 -3.6                 0.00024              
 -3.8                 0.00272              
 -4.                  0.00996              
 -4.2                 0.01062              
 -4.4                 0.00200              
 -4.6                -0.00127              
 -4.8                 0.00251              
 -5.                  0.00901              
 -5.2                 0.01148              
 -5.4                 0.01162              
 -5.6                 0.00817              
 -5.8                 0.00711              
 -6.                  0.00383              
 -6.2                 0.00129              
 -6.4                 0.00794              
 -6.6                 0.00447              
 -6.8                -0.00100              
 -7.                 -0.00122              
 -7.2                -0.00131              
 -7.4                 0.00251              
 -7.6                 0.00816              
 -7.8                 0.00375              
 -8.                 -0.00128              
 -8.2                -0.00126              
 -8.4                -0.00122              
 -8.6                -0.00123              
 -8.8                -0.00122              
 -9.                 -0.00122              
 -9.2                -0.00122              
 -9.4                -0.00122              
 -9.6                -0.00122              
 -9.8                -0.00122              
 -10.                -0.00122              
 -10.2               -0.00122              
 -10.4               -0.00122              
 -10.6               -0.00122              
 -10.8               -0.00122              
 -11.                -0.00123              
 -11.2               -0.00123              
 -11.4               -0.00033              
 -11.6                0.00562              
 -11.8                0.00507              
 -12.                -0.00113              
 -12.2               -0.00147              
 -12.4                0.00154              
 -12.6                0.00341              
 -12.8                0.00014              
 -13.                -0.00123              
 -13.2               -0.00132              
 -13.4                0.00333              
 -13.6                0.01315              
 -13.8                0.01636              
 -14.                 0.01636              
 -14.2                0.01635              
 -14.4                0.01635              
 -14.6                0.01466              
 -14.8                0.01051              
 -15.                 0.00842              
 -15.2                0.00383              
 -15.4                0.00137              
 -15.6                0.01119              
 -15.8                0.01639              
 -16.                 0.01639              
 -16.2                0.01636              
 -16.4                0.01643              
 -16.6                0.01446              
 -16.8                0.01149              
 -17.                 0.00932              
 -17.2                0.01261              
 -17.4                0.01623              
 -17.6                0.01635              
 -17.8                0.01635              
 -18.                 0.01636              
 -18.2                0.01636              
 -18.4                0.01636              
 -18.6                0.01636              
 -18.8                0.01636              
 -19.                 0.01636              
 -19.2                0.01636              
 -19.4                0.01636              
 -19.6                0.01636              
 -19.8                0.01636              
 -20.                 0.01637              
 -20.2                0.01634              
 -20.4                0.01632              
 -20.6                0.01608              
 -20.8                0.02521              
 -21.                 0.02845              
 -21.2                0.01997              
 -21.4                0.02238              
 -21.6                0.03358              
 -21.8                0.04007              
 -22.                 0.04863              
 -22.2                0.05649              
 -22.4                0.05993              
 -22.6                0.06788              
 -22.8                0.07452              
 -23.                 0.07867              
 -23.2                0.09215              
 -23.4                0.10718              
 -23.6                0.11932              
 -23.8                0.13718              
 -24.                 0.15475              
 -24.2                0.17686              
 -24.4                0.20527              
 -24.6                0.24150              
 -24.8                0.28759              
 -25.                 0.33559              
 -25.2                0.39422              
 -25.4                0.46617              
 -25.6                0.54336              
 -25.8                0.61430              
 -26.                 0.68659              
 -26.2                0.75591              
 -26.4                0.82338              
 -26.6                0.88850              
 -26.8                0.94740              
 -27.                 1.01032              
 -27.2                1.07827              
 -27.4                1.14262              
 -27.6                1.20791              
 -27.8                1.28636              
 -28.                 1.37305              
 -28.2                1.47698              
 -28.4                1.59354              
 -28.6                1.71821              
 -28.8                1.8633               
 -29.                 2.00457              
 -29.2                2.14096              
 -29.4                2.26064              
 -29.6                2.35641              
 -29.8                2.42086              
 -30.                 2.454                
 -30.2                2.45468              
 -30.4                2.43065              
 -30.6                2.37653              
 -30.8                2.3038               
 -31.                 2.24605              
 -31.2                2.19059              
 -31.4                2.12938              
 -31.6                2.0809               
 -31.8                2.0455               
 -32.                 2.01356              
 -32.2                1.98163              
 -32.4                1.94825              
 -32.6                1.89791              
 -32.8                1.83749              
 -33.                 1.77344              
 -33.2                1.70259              
 -33.4                1.62597              
 -33.6                1.54733              
 -33.8                1.47492              
 -34.                 1.40879              
 -34.2                1.33915              
 -34.4                1.2626               
 -34.6                1.1788               
 -34.8                1.0963               
 -35.                 1.01528              
 -35.2                0.92290              
 -35.4                0.82687              
 -35.6                0.73065              
 -35.8                0.63594              
 -36.                 0.55174              
 -36.2                0.463                
 -36.4                0.38010              
 -36.6                0.31894              
 -36.8                0.26757              
 -37.                 0.21817              
 -37.2                0.17376              
 -37.4                0.13386              
 -37.6                0.10700              
 -37.8                0.08859              
 -38                  0.07508              
 -38.2                0.06577              
 -38.4                0.05813              
 -38.6                0.05367              
 -38.8                0.04780              
 -39.                 0.04243              
 -39.2                0.03981              
 -39.4                0.03979              
 -39.6                0.03640              
 -39.8                0.02332              
 -40.                 0.02111              
 -40.2                0.02327              
 -40.4                0.01779              
 -40.6                0.01637              
 -40.8                0.01637              
 -41.                 0.01636              
 -41.2                0.01636              
 -41.4                0.01636              
 -41.6                0.01636              
 -41.8                0.01636              
 -42.                 0.01636              
 -42.2                0.01636              
 -42.4                0.01636              
 -42.6                0.01636              
 -42.8                0.01636              
 -43.                 0.01636              
 -43.2                0.01636              
 -43.4                0.01636              
 -43.6                0.01636              
 -43.8                0.01636              
 -44.                 0.01636              
 -44.2                0.01636              
 -44.4                0.01636              
 -44.6                0.01636              
 -44.8                0.01636              
 -45.                 0.01636              
 -45.2                0.01636              
 -45.4                0.01636              
 -45.6                0.01636              
 -45.8                0.01636              
 -46.                 0.01636              
 -46.2                0.01636              
 -46.4                0.01636              
 -46.6                0.01636              
 -46.8                0.01636              
 -47.                 0.01636              
 -47.2                0.01637              
 -47.4                0.01410              
 -47.6                0.00737              
 -47.8                0.01021              
 -48.                 0.01646              
 -48.2                0.01640              
 -48.4                0.01636              
 -48.6                0.01636              
 -48.8                0.01636              
 -49.                 0.01635              
 -49.2                0.01549              
 -49.4                0.01034              
 -49.6                0.01036              
##END=
