##TITLE=              31P MAS NMR spectrum of dehydrated 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 S2d
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/22 10:26:45
##SOURCE REFERENCE=   PSI-31P-Lee-2014-dehydrated
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

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

$$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 S2d

$$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=    -33.424    -32.4435   -32.3635   -31.9976   -31.5464   -31.3501   -31.3001   -31.2501   -31.2001   -30.3134   -30.1083   -30.0583   -30.0083   -29.1579   -27.9546   -27.8946   -27.8346   -27.2322   
##$PEAK AREAS=         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.        
##$PEAK WIDTHS=        1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154    1.89154   
##$PEAK SHAPES=        0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518    0.47518   
##$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=             -0.00344              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -0.2                -0.00344              
 -0.4                 0.00032              
 -0.6                 0.00043              
 -0.8                 0.00043              
 -1.                  0.00044              
 -1.2                 0.00044              
 -1.4                 0.00044              
 -1.6                 0.00044              
 -1.8                 0.00044              
 -2.                  0.00044              
 -2.2                 0.00044              
 -2.4                 0.00044              
 -2.6                 0.00044              
 -2.8                 0.00044              
 -3.                  0.00043              
 -3.2                 0.00045              
 -3.4                 0.00046              
 -3.6                 0.00060              
 -3.8                -0.00641              
 -4.                 -0.01537              
 -4.2                -0.01279              
 -4.4                -0.00204              
 -4.6                -0.00080              
 -4.8                -0.00468              
 -5.                 -0.01082              
 -5.2                -0.00623              
 -5.4                 0.00014              
 -5.6                 0.00045              
 -5.8                 0.00041              
 -6.                  0.00044              
 -6.2                 0.00044              
 -6.4                 0.00044              
 -6.6                 0.00044              
 -6.8                 0.00044              
 -7.                  0.00044              
 -7.2                 0.00044              
 -7.4                 0.00044              
 -7.6                 0.00044              
 -7.8                 0.00044              
 -8                   0.00044              
 -8.2                 0.00044              
 -8.4                 0.00044              
 -8.6                 0.00044              
 -8.8                 0.00044              
 -9.                  0.00044              
 -9.2                 0.00044              
 -9.4                 0.00044              
 -9.6                 0.00044              
 -9.8                 0.00044              
 -10.                 0.00044              
 -10.2                0.00044              
 -10.4                0.00044              
 -10.6                0.00044              
 -10.8                0.00044              
 -11.                 0.00044              
 -11.2                0.00044              
 -11.4                0.00044              
 -11.6                0.00044              
 -11.8                0.00044              
 -12.                 0.00044              
 -12.2                0.00044              
 -12.4                0.00044              
 -12.6                0.00044              
 -12.8                0.00044              
 -13.                 0.00044              
 -13.2                0.00044              
 -13.4                0.00044              
 -13.6                0.00044              
 -13.8                0.00044              
 -14.                 0.00044              
 -14.2                0.00044              
 -14.4                0.00044              
 -14.6                0.00044              
 -14.8                0.00044              
 -15.                 0.00044              
 -15.2                0.00044              
 -15.4                0.00044              
 -15.6                0.00044              
 -15.8                0.00044              
 -16.                 0.00043              
 -16.2                0.00044              
 -16.4                0.00036              
 -16.6                0.00433              
 -16.8                0.01938              
 -17.                 0.03285              
 -17.2                0.02439              
 -17.4                0.01303              
 -17.6                0.01182              
 -17.8                0.00714              
 -18.                 0.01384              
 -18.2                0.02909              
 -18.4                0.03306              
 -18.6                0.03301              
 -18.8                0.03304              
 -19.                 0.03304              
 -19.2                0.03304              
 -19.4                0.03304              
 -19.6                0.03304              
 -19.8                0.03304              
 -20.                 0.03304              
 -20.2                0.03304              
 -20.4                0.03304              
 -20.6                0.03304              
 -20.8                0.03304              
 -21.                 0.03304              
 -21.2                0.03303              
 -21.4                0.03309              
 -21.6                0.03295              
 -21.8                0.03636              
 -22.                 0.03631              
 -22.2                0.03996              
 -22.4                0.05117              
 -22.6                0.05747              
 -22.8                0.05753              
 -23.                 0.05749              
 -23.2                0.05752              
 -23.4                0.06040              
 -23.6                0.07133              
 -23.8                0.08020              
 -24.                 0.08194              
 -24.2                0.08743              
 -24.4                0.10321              
 -24.6                0.12181              
 -24.8                0.13353              
 -25.                 0.15040              
 -25.2                0.16888              
 -25.4                0.19799              
 -25.6                0.24405              
 -25.8                0.29544              
 -26.                 0.37496              
 -26.2                0.47320              
 -26.4                0.60329              
 -26.6                0.78692              
 -26.8                0.99829              
 -27.                 1.21659              
 -27.2                1.4374               
 -27.4                1.63621              
 -27.6                1.78182              
 -27.8                1.86597              
 -28.                 1.8904               
 -28.2                1.8607               
 -28.4                1.80684              
 -28.6                1.77303              
 -28.8                1.76441              
 -29.                 1.80442              
 -29.2                1.91951              
 -29.4                2.08928              
 -29.6                2.30119              
 -29.8                2.52163              
 -30.                 2.71484              
 -30.2                2.8883               
 -30.4                3.01913              
 -30.6                3.14483              
 -30.8                3.26764              
 -31.                 3.35297              
 -31.2                3.40849              
 -31.4                3.39511              
 -31.6                3.30789              
 -31.8                3.17331              
 -32.                 2.95193              
 -32.2                2.69922              
 -32.4                2.44475              
 -32.6                2.15733              
 -32.8                1.89407              
 -33.                 1.63501              
 -33.2                1.38993              
 -33.4                1.16985              
 -33.6                0.97094              
 -33.8                0.80355              
 -34.                 0.66881              
 -34.2                0.55226              
 -34.4                0.44558              
 -34.6                0.35320              
 -34.8                0.28135              
 -35.                 0.22649              
 -35.2                0.18138              
 -35.4                0.14818              
 -35.6                0.12122              
 -35.8                0.09799              
 -36.                 0.08343              
 -36.2                0.08062              
 -36.4                0.07110              
 -36.6                0.06094              
 -36.8                0.05750              
 -37.                 0.05748              
 -37.2                0.05749              
 -37.4                0.05748              
 -37.6                0.05747              
 -37.8                0.05610              
 -38                  0.04766              
 -38.2                0.03643              
 -38.4                0.03313              
 -38.6                0.03303              
 -38.8                0.03304              
 -39.                 0.03304              
 -39.2                0.03304              
 -39.4                0.03304              
 -39.6                0.03304              
 -39.8                0.03304              
 -40.                 0.03304              
 -40.2                0.03304              
 -40.4                0.03304              
 -40.6                0.03304              
 -40.8                0.03304              
 -41.                 0.03304              
 -41.2                0.03304              
 -41.4                0.03304              
 -41.6                0.03304              
 -41.8                0.03304              
 -42.                 0.03304              
 -42.2                0.03303              
 -42.4                0.03304              
 -42.6                0.03299              
 -42.8                0.03308              
 -43.                 0.02639              
 -43.2                0.01054              
 -43.4                0.01348              
 -43.6                0.02824              
 -43.8                0.03305              
 -44.                 0.03305              
 -44.2                0.03304              
 -44.4                0.03294              
 -44.6                0.03318              
 -44.8                0.02479              
 -45.                 0.01304              
 -45.2                0.01540              
 -45.4                0.02907              
 -45.6                0.02758              
 -45.8                0.01532              
 -46.                 0.00687              
 -46.2                0.01822              
 -46.4                0.03005              
 -46.6                0.02956              
 -46.8                0.01925              
 -47.                 0.00719              
 -47.2                0.01155              
 -47.4                0.02798              
 -47.6                0.03293              
 -47.8                0.03304              
 -48.                 0.03301              
 -48.2                0.02880              
 -48.4                0.01248              
 -48.6                0.01313              
 -48.8                0.02972              
 -49.                 0.03340              
 -49.2                0.02395              
 -49.4                0.00793              
 -49.6                0.00044              
##END=
