##TITLE=              29Si MAS NMR spectrum of pure silica as-made Sigma-2 (with 1-aminoadamantane)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Brouwer et al. J. Am. Chem. Soc., 127, 542-543 (2005) Figure 1b
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/06/21 09:35:42
##SOURCE REFERENCE=   SGT-29Si-Brouwer-2005-asmade
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              SGT
##NAMES=              Sigma-2
##SAMPLE DESCRIPTION= Sigma-2, as-made

$$Bibliographic information 
##$AUTHORS=           Brouwer, D.H., Kristiansen, P.E., Fyfe, C.A., Levitt, M.H.
##$TITLE=             Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: A new method for investigating three-dimensional structures of zeolite frameworks
##$JOURNAL=           Journal of the American Chemical Society
##$VOLUME=            127
##$PAGES=             542-543
##$YEAR=              2005
##$DOI=               10.1021/ja043228l
##$FIGURE=            Figure 1b

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         4
##$PEAK TSITES=        T4         T1         T3         T2        
##$PEAK LABELS=        Si3        Si1        Si2        Si4       
##$PEAK POSITIONS=    -119.96    -116.036   -113.898   -108.818   
##$PEAK AREAS=         1.         1.         1.         1.        
##$PEAK WIDTHS=        0.49669    0.38845    0.49531    0.47367   
##$PEAK SHAPES=        1          1          1          1         
##$NUMBERING REF=     Brouwer and Enright, J. Am. Chem. Soc. 130, 3095-3105 (2008)
##$ASSIGN REF=        Brouwer et al. J. Am. Chem. Soc. 127, 542-543 (2005) Figure 3a
##$ASSIGN METHOD=     2D correlation NMR

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 59.56
##.PULSE SEQUENCE=    cross polarization
##.MAS FREQUENCY=     4000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -106.08               
##LASTX=              -122.88               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            421
##FIRSTY=              0.00922              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -106.08              0.00922              
 -106.12              0.01806              
 -106.16              0.02301              
 -106.2               0.02378              
 -106.24              0.02382              
 -106.28              0.01933              
 -106.32              0.01026              
 -106.36              0.01214              
 -106.4               0.01892              
 -106.44              0.01609              
 -106.48              0.00964              
 -106.52              0.00528              
 -106.56              0.00801              
 -106.6               0.01438              
 -106.64              0.02510              
 -106.68              0.03100              
 -106.72              0.02596              
 -106.76              0.02364              
 -106.8               0.02272              
 -106.84              0.01293              
 -106.88              0.00639              
 -106.92              0.01200              
 -106.96              0.01831              
 -107.                0.02276              
 -107.04              0.02397              
 -107.08              0.02384              
 -107.12              0.02411              
 -107.16              0.02782              
 -107.2               0.03178              
 -107.24              0.02765              
 -107.28              0.02368              
 -107.32              0.02411              
 -107.36              0.02654              
 -107.4               0.03137              
 -107.44              0.03816              
 -107.48              0.04242              
 -107.52              0.04317              
 -107.56              0.05017              
 -107.6               0.05956              
 -107.64              0.06216              
 -107.68              0.06199              
 -107.72              0.06240              
 -107.76              0.06835              
 -107.8               0.07763              
 -107.84              0.08133              
 -107.88              0.08408              
 -107.92              0.09458              
 -107.96              0.10172              
 -108.                0.10216              
 -108.04              0.10694              
 -108.08              0.11508              
 -108.12              0.13181              
 -108.16              0.15007              
 -108.2               0.16403              
 -108.24              0.18797              
 -108.28              0.21309              
 -108.32              0.24660              
 -108.36              0.27870              
 -108.4               0.30165              
 -108.44              0.36642              
 -108.48              0.42908              
 -108.52              0.47945              
 -108.56              0.57487              
 -108.6               0.70262              
 -108.64              0.84124              
 -108.68              0.95006              
 -108.72              1.11571              
 -108.76              1.26439              
 -108.8               1.32933              
 -108.84              1.34683              
 -108.88              1.28638              
 -108.92              1.13127              
 -108.96              0.95684              
 -109.                0.8333               
 -109.04              0.67311              
 -109.08              0.55170              
 -109.12              0.45720              
 -109.16              0.38983              
 -109.2               0.34549              
 -109.24              0.29206              
 -109.28              0.25658              
 -109.32              0.22462              
 -109.36              0.19902              
 -109.4               0.17984              
 -109.44              0.16539              
 -109.48              0.16003              
 -109.52              0.14772              
 -109.56              0.13230              
 -109.6               0.11301              
 -109.64              0.10126              
 -109.68              0.10120              
 -109.72              0.09576              
 -109.76              0.08727              
 -109.8               0.07697              
 -109.84              0.06825              
 -109.88              0.06398              
 -109.92              0.06193              
 -109.96              0.05830              
 -110.                0.04881              
 -110.04              0.04273              
 -110.08              0.04349              
 -110.12              0.05301              
 -110.16              0.05852              
 -110.2               0.04857              
 -110.24              0.04266              
 -110.28              0.04306              
 -110.32              0.04296              
 -110.36              0.04302              
 -110.4               0.04284              
 -110.44              0.03738              
 -110.48              0.02776              
 -110.52              0.02373              
 -110.56              0.02395              
 -110.6               0.02391              
 -110.64              0.02385              
 -110.68              0.02414              
 -110.72              0.02822              
 -110.76              0.03173              
 -110.8               0.02729              
 -110.84              0.02363              
 -110.88              0.02445              
 -110.92              0.03260              
 -110.96              0.04009              
 -111.                0.03643              
 -111.04              0.03034              
 -111.08              0.02500              
 -111.12              0.01444              
 -111.16              0.00799              
 -111.2               0.01721              
 -111.24              0.02647              
 -111.28              0.03056              
 -111.32              0.02876              
 -111.36              0.02225              
 -111.4               0.01690              
 -111.44              0.01620              
 -111.48              0.02182              
 -111.52              0.02812              
 -111.56              0.03174              
 -111.6               0.02743              
 -111.64              0.02367              
 -111.68              0.02395              
 -111.72              0.02392              
 -111.76              0.02275              
 -111.8               0.01802              
 -111.84              0.01786              
 -111.88              0.02740              
 -111.92              0.03280              
 -111.96              0.03207              
 -112.                0.02736              
 -112.04              0.02360              
 -112.08              0.02409              
 -112.12              0.02706              
 -112.16              0.03231              
 -112.2               0.03908              
 -112.24              0.04316              
 -112.28              0.04296              
 -112.32              0.04293              
 -112.36              0.04333              
 -112.4               0.04799              
 -112.44              0.05403              
 -112.48              0.05908              
 -112.52              0.06214              
 -112.56              0.06227              
 -112.6               0.06758              
 -112.64              0.07388              
 -112.68              0.07877              
 -112.72              0.08435              
 -112.76              0.08938              
 -112.8               0.09587              
 -112.84              0.09995              
 -112.88              0.10158              
 -112.92              0.10563              
 -112.96              0.11093              
 -113.                0.12187              
 -113.04              0.13433              
 -113.08              0.15034              
 -113.12              0.16319              
 -113.16              0.16867              
 -113.2               0.18614              
 -113.24              0.20479              
 -113.28              0.22490              
 -113.32              0.25240              
 -113.36              0.27735              
 -113.4               0.30957              
 -113.44              0.33774              
 -113.48              0.37918              
 -113.52              0.43072              
 -113.56              0.47559              
 -113.6               0.55507              
 -113.64              0.63516              
 -113.68              0.73436              
 -113.72              0.85748              
 -113.76              0.97274              
 -113.8               1.0942               
 -113.84              1.18463              
 -113.88              1.27311              
 -113.92              1.3084               
 -113.96              1.25728              
 -114.                1.1503               
 -114.04              1.03589              
 -114.08              0.88564              
 -114.12              0.73759              
 -114.16              0.62851              
 -114.2               0.50926              
 -114.24              0.43530              
 -114.28              0.36039              
 -114.32              0.30209              
 -114.36              0.27199              
 -114.4               0.23667              
 -114.44              0.21331              
 -114.48              0.19048              
 -114.52              0.17193              
 -114.56              0.15784              
 -114.6               0.14571              
 -114.64              0.13984              
 -114.68              0.12853              
 -114.72              0.11702              
 -114.76              0.10752              
 -114.8               0.10187              
 -114.84              0.10226              
 -114.88              0.10213              
 -114.92              0.10180              
 -114.96              0.10090              
 -115.                0.10059              
 -115.04              0.10109              
 -115.08              0.10186              
 -115.12              0.10621              
 -115.16              0.11657              
 -115.2               0.12851              
 -115.24              0.13787              
 -115.28              0.14609              
 -115.32              0.15387              
 -115.36              0.16377              
 -115.4               0.17595              
 -115.44              0.18736              
 -115.48              0.21048              
 -115.52              0.23256              
 -115.56              0.25581              
 -115.6               0.29301              
 -115.64              0.33204              
 -115.68              0.38577              
 -115.72              0.45443              
 -115.76              0.57536              
 -115.8               0.7161               
 -115.84              0.83207              
 -115.88              1.03881              
 -115.92              1.22846              
 -115.96              1.41224              
 -116.                1.57885              
 -116.04              1.64684              
 -116.08              1.57256              
 -116.12              1.40541              
 -116.16              1.20946              
 -116.2               0.98895              
 -116.24              0.81591              
 -116.28              0.64054              
 -116.32              0.53146              
 -116.36              0.42744              
 -116.4               0.34664              
 -116.44              0.30499              
 -116.48              0.25459              
 -116.52              0.21814              
 -116.56              0.18194              
 -116.6               0.15153              
 -116.64              0.13740              
 -116.68              0.12177              
 -116.72              0.11096              
 -116.76              0.09811              
 -116.8               0.08322              
 -116.84              0.06915              
 -116.88              0.06568              
 -116.92              0.07027              
 -116.96              0.06592              
 -117.                0.05953              
 -117.04              0.05521              
 -117.08              0.05680              
 -117.12              0.06133              
 -117.16              0.05683              
 -117.2               0.05213              
 -117.24              0.05209              
 -117.28              0.05577              
 -117.32              0.06087              
 -117.36              0.06210              
 -117.4               0.06212              
 -117.44              0.06187              
 -117.48              0.05830              
 -117.52              0.05287              
 -117.56              0.04672              
 -117.6               0.04284              
 -117.64              0.04293              
 -117.68              0.03982              
 -117.72              0.03562              
 -117.76              0.03841              
 -117.8               0.04641              
 -117.84              0.05620              
 -117.88              0.05846              
 -117.92              0.05276              
 -117.96              0.04662              
 -118.                0.04279              
 -118.04              0.04305              
 -118.08              0.04298              
 -118.12              0.04299              
 -118.16              0.04300              
 -118.2               0.04297              
 -118.24              0.04312              
 -118.28              0.04874              
 -118.32              0.05774              
 -118.36              0.05279              
 -118.4               0.04377              
 -118.44              0.04309              
 -118.48              0.04285              
 -118.52              0.04356              
 -118.56              0.05249              
 -118.6               0.06166              
 -118.64              0.06202              
 -118.68              0.06209              
 -118.72              0.06211              
 -118.76              0.06193              
 -118.8               0.06394              
 -118.84              0.07450              
 -118.88              0.08438              
 -118.92              0.08956              
 -118.96              0.10063              
 -119.                0.11080              
 -119.04              0.11766              
 -119.08              0.12429              
 -119.12              0.12942              
 -119.16              0.13896              
 -119.2               0.15078              
 -119.24              0.16826              
 -119.28              0.18697              
 -119.32              0.20170              
 -119.36              0.22145              
 -119.4               0.23994              
 -119.44              0.27543              
 -119.48              0.31459              
 -119.52              0.35710              
 -119.56              0.41558              
 -119.6               0.46820              
 -119.64              0.55261              
 -119.68              0.64718              
 -119.72              0.73435              
 -119.76              0.85274              
 -119.8               0.95325              
 -119.84              1.07767              
 -119.88              1.18162              
 -119.92              1.25058              
 -119.96              1.28859              
 -120.                1.2718               
 -120.04              1.1792               
 -120.08              1.06987              
 -120.12              0.97218              
 -120.16              0.84336              
 -120.2               0.74065              
 -120.24              0.62853              
 -120.28              0.54170              
 -120.32              0.47862              
 -120.36              0.41095              
 -120.4               0.36728              
 -120.44              0.31803              
 -120.48              0.27880              
 -120.52              0.24654              
 -120.56              0.21737              
 -120.6               0.20271              
 -120.64              0.17686              
 -120.68              0.15443              
 -120.72              0.13995              
 -120.76              0.12289              
 -120.8               0.11326              
 -120.84              0.10548              
 -120.88              0.09827              
 -120.92              0.08708              
 -120.96              0.07494              
 -121.                0.06649              
 -121.04              0.06196              
 -121.08              0.06213              
 -121.12              0.06204              
 -121.16              0.06220              
 -121.2               0.06157              
 -121.24              0.05324              
 -121.28              0.04444              
 -121.32              0.04298              
 -121.36              0.04300              
 -121.4               0.04299              
 -121.44              0.04299              
 -121.48              0.04299              
 -121.52              0.04299              
 -121.56              0.04299              
 -121.6               0.04298              
 -121.64              0.04302              
 -121.68              0.04091              
 -121.72              0.03142              
 -121.76              0.02367              
 -121.8               0.02398              
 -121.84              0.02388              
 -121.88              0.02389              
 -121.92              0.02398              
 -121.96              0.02846              
 -122.                0.03743              
 -122.04              0.03479              
 -122.08              0.02610              
 -122.12              0.02385              
 -122.16              0.02178              
 -122.2               0.01657              
 -122.24              0.01697              
 -122.28              0.02265              
 -122.32              0.03403              
 -122.36              0.04071              
 -122.4               0.03552              
 -122.44              0.02612              
 -122.48              0.01716              
 -122.52              0.01965              
 -122.56              0.02795              
 -122.6               0.03667              
 -122.64              0.03486              
 -122.68              0.02628              
 -122.72              0.02863              
 -122.76              0.03207              
 -122.8               0.03196              
 -122.84              0.02933              
 -122.88              0.02502              
##END=
