##TITLE=              31P MAS NMR spectrum of calcined and fully dehydrated AlPO-34 at 533 K
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Varlec et al. New J. Chem., 40, 4178-4186 (2016) Figure 3a
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University
##LONG DATE=          2020/07/20 09:18:52
##SOURCE REFERENCE=   CHA-31P-Varlec-2016-calcined
##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, calcined, dehydrated
##TEMPERATURE=        533 K

$$Bibliographic information 
##$AUTHORS=           Varlec, J., Krajnc, A., Mazaj, M., Ristic, A., Vanatalu, K., Oss, A., Samoson, A., Kaucic, V., Mali, G.
##$TITLE=             Dehydration of AlPO4-34 studied by variable-temperature NMR, XRD and first-principles calculations
##$JOURNAL=           New Journal of Chemistry
##$VOLUME=            40
##$PAGES=             4178-4186
##$YEAR=              2016
##$DOI=               10.1039/c5nj02838h
##$FIGURE=            Figure 3a

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         1
##$PEAK LABELS=        P1        
##$PEAK TSITES=        T1        
##$PEAK POSITIONS=    -28.7216   
##$PEAK AREAS=         1.        
##$PEAK WIDTHS=        1.45404   
##$PEAK SHAPES=        0.19699   
##$NUMBERING REF=     Amri and Walton. Chem. Mater., 21, 3380-3390 (2009)
##$ASSIGN REF=        Varlec et al. New J. Chem., 40, 4178-4186 (2016) Figure 3a
##$ASSIGN METHOD=     single peak
##$COMMENT=           The closest temperature at which the crystal structure was determined by Amri and Walton is 460K

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^31P
##.OBSERVE FREQUENCY= 242.70
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     8000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -10.2                 
##LASTX=              -39.8                 
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            149
##FIRSTY=              0.00223              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -10.2                0.00223              
 -10.4               -0.00026              
 -10.6                0.00101              
 -10.8                0.00116              
 -11.                 0.00095              
 -11.2               -0.00031              
 -11.4               -0.00138              
 -11.6               -0.00143              
 -11.8               -0.00142              
 -12.                -0.00142              
 -12.2               -0.00142              
 -12.4               -0.00144              
 -12.6               -0.00123              
 -12.8               -0.00102              
 -13.                 0.00004              
 -13.2                0.00056              
 -13.4               -0.00059              
 -13.6               -0.00136              
 -13.8               -0.00145              
 -14.                -0.00058              
 -14.2               -0.00011              
 -14.4               -0.00090              
 -14.6               -0.00125              
 -14.8               -0.00020              
 -15.                -0.00024              
 -15.2               -0.00007              
 -15.4                0.00027              
 -15.6                0.00022              
 -15.8                0.00001              
 -16.                -0.00019              
 -16.2                0.00083              
 -16.4                0.00115              
 -16.6                0.00112              
 -16.8                0.00119              
 -17.                 0.00014              
 -17.2               -0.00029              
 -17.4                0.00081              
 -17.6                0.00115              
 -17.8                0.00114              
 -18.                 0.00117              
 -18.2                0.00057              
 -18.4               -0.00002              
 -18.6                0.00057              
 -18.8                0.00112              
 -19.                 0.00114              
 -19.2                0.00114              
 -19.4                0.00114              
 -19.6                0.00114              
 -19.8                0.00114              
 -20.                 0.00114              
 -20.2                0.00114              
 -20.4                0.00113              
 -20.6                0.00147              
 -20.8                0.00238              
 -21.                 0.00210              
 -21.2                0.00116              
 -21.4                0.00113              
 -21.6                0.00114              
 -21.8                0.00145              
 -22.                 0.00215              
 -22.2                0.00186              
 -22.4                0.00116              
 -22.6                0.00121              
 -22.8                0.00165              
 -23.                 0.00164              
 -23.2                0.00119              
 -23.4                0.00111              
 -23.6                0.00173              
 -23.8                0.00309              
 -24.                 0.00360              
 -24.2                0.00360              
 -24.4                0.00360              
 -24.6                0.00359              
 -24.8                0.00370              
 -25.                 0.00373              
 -25.2                0.00368              
 -25.4                0.00493              
 -25.6                0.00623              
 -25.8                0.00629              
 -26.                 0.00628              
 -26.2                0.00627              
 -26.4                0.00724              
 -26.6                0.01128              
 -26.8                0.01570              
 -27.                 0.02127              
 -27.2                0.03566              
 -27.4                0.06761              
 -27.6                0.12087              
 -27.8                0.20360              
 -28.                 0.31045              
 -28.2                0.42459              
 -28.4                0.52519              
 -28.6                0.58923              
 -28.8                0.59718              
 -29.                 0.54124              
 -29.2                0.44922              
 -29.4                0.33447              
 -29.6                0.22238              
 -29.8                0.13584              
 -30.                 0.07814              
 -30.2                0.04608              
 -30.4                0.02958              
 -30.6                0.02101              
 -30.8                0.01657              
 -31.                 0.01445              
 -31.2                0.01274              
 -31.4                0.01010              
 -31.6                0.00729              
 -31.8                0.00637              
 -32.                 0.00532              
 -32.2                0.00361              
 -32.4                0.00307              
 -32.6                0.00293              
 -32.8                0.00213              
 -33.                 0.00228              
 -33.2                0.00233              
 -33.4                0.00188              
 -33.6                0.00171              
 -33.8                0.00116              
 -34.                 0.00117              
 -34.2                0.00040              
 -34.4               -0.00026              
 -34.6                0.00030              
 -34.8                0.00127              
 -35.                 0.00162              
 -35.2                0.00123              
 -35.4                0.00027              
 -35.6               -0.00111              
 -35.8               -0.00085              
 -36.                -0.00025              
 -36.2               -0.00088              
 -36.4               -0.00121              
 -36.6               -0.00118              
 -36.8               -0.00139              
 -37.                -0.00145              
 -37.2               -0.00097              
 -37.4               -0.00097              
 -37.6               -0.00028              
 -37.8                0.00107              
 -38.                 0.00122              
 -38.2                0.00037              
 -38.4               -0.00000              
 -38.6               -0.00040              
 -38.8               -0.00097              
 -39.                -0.00094              
 -39.2               -0.00138              
 -39.4               -0.00140              
 -39.6               -0.00161              
 -39.8                0.00286              
##END=
