##TITLE=              29Si MAS NMR spectrum of calcined pure silica ITQ-3
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Camblor et al. Angew. Chem. Int. Ed., 36, 2659-2661 (1997) Figure 1
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/08/08 14:36:54
##SOURCE REFERENCE=   ITE-29Si-Camblor-1997
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              ITE
##NAMES=              ITQ-3
##SAMPLE DESCRIPTION= ITQ-3, calcined

$$Bibliographic information 
##$AUTHORS=           Camblor, M.A., Corma, A., Lightfoot, P., Villaescusa, L.A., Wright, P.A.
##$TITLE=             Synthesis and structure of ITQ-3, the first pure silica polymorph with a two-dimensional system of straight eight-ring channels
##$JOURNAL=           Angewandte Chemie, International Edition in English
##$VOLUME=            36
##$PAGES=             2659-2661
##$YEAR=              1997
##$DOI=               10.1002/anie.199726591
##$FIGURE=            Figure 1

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         4
##$PEAK LABELS=        A          B          C          D         
##$PEAK TSITES=       
##$PEAK POSITIONS=    -115.361   -113.721   -113.715   -108.823   
##$PEAK AREAS=         1.         1.         1.         1.        
##$PEAK WIDTHS=        0.67002    0.56248    0.56248    0.57123   
##$PEAK SHAPES=        0.34322    0.34322    0.34322    0.34322   
##$NUMBERING REF=     
##$ASSIGN REF=        
##$ASSIGN METHOD=     
##$COMMENT=           

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -98.96                
##LASTX=              -120.995              
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            1417
##FIRSTY=              0.00873              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -98.96               0.00873              
 -98.975              0.00815              
 -98.99               0.01114              
 -99.005              0.01522              
 -99.02               0.01555              
 -99.035              0.01371              
 -99.05               0.01342              
 -99.065              0.01041              
 -99.08               0.00240              
 -99.095             -0.00310              
 -99.11              -0.00256              
 -99.125              0.00128              
 -99.14               0.00665              
 -99.155              0.01266              
 -99.17               0.01902              
 -99.185              0.02417              
 -99.2                0.02299              
 -99.215              0.01522              
 -99.23               0.00727              
 -99.245              0.00161              
 -99.26              -0.00194              
 -99.275             -0.00109              
 -99.29               0.00452              
 -99.305              0.00737              
 -99.32               0.00640              
 -99.335              0.01094              
 -99.35               0.01925              
 -99.365              0.02233              
 -99.38               0.02241              
 -99.395              0.02392              
 -99.41               0.02432              
 -99.425              0.02272              
 -99.44               0.02273              
 -99.455              0.02432              
 -99.47               0.02466              
 -99.485              0.02455              
 -99.5                0.02518              
 -99.515              0.02363              
 -99.53               0.01859              
 -99.545              0.01282              
 -99.56               0.00803              
 -99.575              0.00459              
 -99.59               0.00278              
 -99.605              0.00260              
 -99.62               0.00282              
 -99.635              0.00273              
 -99.65               0.00308              
 -99.665              0.00443              
 -99.68               0.00691              
 -99.695              0.00929              
 -99.71               0.01002              
 -99.725              0.00892              
 -99.74               0.00646              
 -99.755              0.00371              
 -99.77               0.00126              
 -99.785             -0.00072              
 -99.8               -0.00154              
 -99.815             -0.00089              
 -99.83              -0.00212              
 -99.845             -0.00647              
 -99.86              -0.00801              
 -99.875             -0.00612              
 -99.89              -0.00672              
 -99.905             -0.00626              
 -99.92               0.00206              
 -99.935              0.01005              
 -99.95               0.01028              
 -99.965              0.00923              
 -99.98               0.00967              
 -99.995              0.00732              
 -100.01              0.00317              
 -100.025             0.00126              
 -100.04              0.00049              
 -100.055            -0.00035              
 -100.07              0.00218              
 -100.085             0.00776              
 -100.1               0.01004              
 -100.115             0.00933              
 -100.13              0.01011              
 -100.145             0.00896              
 -100.16              0.00257              
 -100.175            -0.00271              
 -100.19             -0.00362              
 -100.205            -0.00428              
 -100.22             -0.00570              
 -100.235            -0.00609              
 -100.25             -0.00588              
 -100.265            -0.00600              
 -100.28             -0.00567              
 -100.295            -0.00442              
 -100.31             -0.00288              
 -100.325            -0.00169              
 -100.34             -0.00135              
 -100.355            -0.00154              
 -100.37             -0.00165              
 -100.385            -0.00144              
 -100.4              -0.00125              
 -100.415            -0.00223              
 -100.43             -0.00362              
 -100.445            -0.00305              
 -100.46             -0.00155              
 -100.475            -0.00124              
 -100.49             -0.00162              
 -100.505            -0.00173              
 -100.52             -0.00122              
 -100.535            -0.00114              
 -100.55             -0.00320              
 -100.565            -0.00183              
 -100.58              0.00909              
 -100.595             0.01926              
 -100.61              0.02060              
 -100.625             0.02044              
 -100.64              0.02092              
 -100.655             0.01639              
 -100.67              0.00969              
 -100.685             0.00743              
 -100.7               0.00696              
 -100.715             0.00464              
 -100.73              0.00159              
 -100.745            -0.00089              
 -100.76             -0.00239              
 -100.775            -0.00354              
 -100.79             -0.00521              
 -100.805            -0.00582              
 -100.82             -0.00381              
 -100.835             0.00001              
 -100.85              0.00394              
 -100.865             0.00569              
 -100.88              0.00515              
 -100.895             0.00383              
 -100.91              0.00272              
 -100.925             0.00245              
 -100.94              0.00313              
 -100.955             0.00444              
 -100.97              0.00558              
 -100.985             0.00682              
 -101.                0.00885              
 -101.015             0.00922              
 -101.03              0.00580              
 -101.045             0.00175              
 -101.06             -0.00067              
 -101.075            -0.00256              
 -101.09             -0.00371              
 -101.105            -0.00286              
 -101.12             -0.00152              
 -101.135            -0.00156              
 -101.15             -0.00131              
 -101.165             0.00011              
 -101.18              0.00074              
 -101.195             0.00055              
 -101.21              0.00125              
 -101.225             0.00064              
 -101.24             -0.00355              
 -101.255            -0.00588              
 -101.27             -0.00317              
 -101.285            -0.00077              
 -101.3               0.00009              
 -101.315             0.00313              
 -101.33              0.00703              
 -101.345             0.00857              
 -101.36              0.00965              
 -101.375             0.01146              
 -101.39              0.01052              
 -101.405             0.00636              
 -101.42              0.00256              
 -101.435             0.00068              
 -101.45              0.00061              
 -101.465             0.00051              
 -101.48             -0.00082              
 -101.495            -0.00175              
 -101.51             -0.00162              
 -101.525            -0.00151              
 -101.54             -0.00154              
 -101.555            -0.00137              
 -101.57             -0.00163              
 -101.585            -0.00224              
 -101.6              -0.00037              
 -101.615             0.00380              
 -101.63              0.00569              
 -101.645             0.00671              
 -101.66              0.01157              
 -101.675             0.01605              
 -101.69              0.01584              
 -101.705             0.01665              
 -101.72              0.02085              
 -101.735             0.02328              
 -101.75              0.02262              
 -101.765             0.02106              
 -101.78              0.02017              
 -101.795             0.01992              
 -101.81              0.01626              
 -101.825             0.00923              
 -101.84              0.00667              
 -101.855             0.00745              
 -101.87              0.00367              
 -101.885             0.00066              
 -101.9               0.00603              
 -101.915             0.01299              
 -101.93              0.01562              
 -101.945             0.01574              
 -101.96              0.01565              
 -101.975             0.01683              
 -101.99              0.01585              
 -102.005             0.00937              
 -102.02              0.00442              
 -102.035             0.00493              
 -102.05              0.00374              
 -102.065            -0.00058              
 -102.08             -0.00251              
 -102.095            -0.00159              
 -102.11             -0.00012              
 -102.125             0.00071              
 -102.14              0.00066              
 -102.155             0.00080              
 -102.17              0.00324              
 -102.185             0.01045              
 -102.2               0.01772              
 -102.215             0.01847              
 -102.23              0.01831              
 -102.245             0.02234              
 -102.26              0.02516              
 -102.275             0.02581              
 -102.29              0.03007              
 -102.305             0.03516              
 -102.32              0.03419              
 -102.335             0.03067              
 -102.35              0.02931              
 -102.365             0.02845              
 -102.38              0.02709              
 -102.395             0.02643              
 -102.41              0.02664              
 -102.425             0.02720              
 -102.44              0.02918              
 -102.455             0.03204              
 -102.47              0.02880              
 -102.485             0.01910              
 -102.5               0.01372              
 -102.515             0.01368              
 -102.53              0.01257              
 -102.545             0.01151              
 -102.56              0.01344              
 -102.575             0.01695              
 -102.59              0.01973              
 -102.605             0.01975              
 -102.62              0.01672              
 -102.635             0.01199              
 -102.65              0.00698              
 -102.665             0.00334              
 -102.68              0.00325              
 -102.695             0.00704              
 -102.71              0.01155              
 -102.725             0.01511              
 -102.74              0.01752              
 -102.755             0.01583              
 -102.77              0.00810              
 -102.785             0.00198              
 -102.8               0.00215              
 -102.815             0.00275              
 -102.83              0.00117              
 -102.845            -0.00043              
 -102.86              0.00052              
 -102.875             0.00509              
 -102.89              0.00690              
 -102.905             0.00269              
 -102.92              0.00028              
 -102.935             0.00216              
 -102.95              0.00353              
 -102.965             0.00480              
 -102.98              0.00858              
 -102.995             0.01180              
 -103.01              0.01185              
 -103.025             0.0115               
 -103.04              0.01170              
 -103.055             0.01045              
 -103.07              0.00928              
 -103.085             0.01120              
 -103.1               0.01395              
 -103.115             0.01510              
 -103.13              0.01660              
 -103.145             0.01924              
 -103.16              0.02134              
 -103.175             0.02229              
 -103.19              0.02247              
 -103.205             0.02234              
 -103.22              0.02228              
 -103.235             0.02243              
 -103.25              0.02252              
 -103.265             0.02179              
 -103.28              0.02041              
 -103.295             0.01916              
 -103.31              0.01791              
 -103.325             0.01647              
 -103.34              0.01574              
 -103.355             0.01585              
 -103.37              0.01559              
 -103.385             0.01559              
 -103.4               0.01776              
 -103.415             0.02024              
 -103.43              0.02052              
 -103.445             0.02015              
 -103.46              0.02109              
 -103.475             0.02437              
 -103.49              0.02830              
 -103.505             0.02929              
 -103.52              0.02887              
 -103.535             0.02961              
 -103.55              0.02800              
 -103.565             0.02262              
 -103.58              0.01892              
 -103.595             0.01819              
 -103.61              0.01700              
 -103.625             0.01584              
 -103.64              0.01671              
 -103.655             0.01829              
 -103.67              0.01940              
 -103.685             0.02105              
 -103.7               0.02245              
 -103.715             0.02088              
 -103.73              0.01812              
 -103.745             0.01770              
 -103.76              0.01797              
 -103.775             0.01751              
 -103.79              0.01909              
 -103.805             0.02203              
 -103.82              0.02124              
 -103.835             0.01820              
 -103.85              0.01772              
 -103.865             0.01792              
 -103.88              0.01651              
 -103.895             0.01586              
 -103.91              0.01723              
 -103.925             0.01939              
 -103.94              0.02196              
 -103.955             0.02502              
 -103.97              0.02674              
 -103.985             0.02573              
 -104.                0.02398              
 -104.015             0.02281              
 -104.03              0.02169              
 -104.045             0.02197              
 -104.06              0.02566              
 -104.075             0.02897              
 -104.09              0.02801              
 -104.105             0.02639              
 -104.12              0.02565              
 -104.135             0.02186              
 -104.15              0.01652              
 -104.165             0.01515              
 -104.18              0.01583              
 -104.195             0.01521              
 -104.21              0.01677              
 -104.225             0.02203              
 -104.24              0.02650              
 -104.255             0.02855              
 -104.27              0.03000              
 -104.285             0.03325              
 -104.3               0.03878              
 -104.315             0.03867              
 -104.33              0.03036              
 -104.345             0.02534              
 -104.36              0.02638              
 -104.375             0.02617              
 -104.39              0.02249              
 -104.405             0.01680              
 -104.42              0.01335              
 -104.435             0.01376              
 -104.45              0.01263              
 -104.465             0.00964              
 -104.48              0.01060              
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 -104.525             0.02512              
 -104.54              0.02692              
 -104.555             0.02595              
 -104.57              0.02322              
 -104.585             0.02114              
 -104.6               0.02023              
 -104.615             0.01990              
 -104.63              0.02030              
 -104.645             0.02153              
 -104.66              0.02279              
 -104.675             0.02394              
 -104.69              0.02575              
 -104.705             0.02678              
 -104.72              0.02475              
 -104.735             0.02217              
 -104.75              0.02187              
 -104.765             0.02264              
 -104.78              0.02375              
 -104.795             0.02611              
 -104.81              0.02863              
 -104.825             0.02908              
 -104.84              0.02890              
 -104.855             0.02953              
 -104.87              0.02786              
 -104.885             0.02269              
 -104.9               0.01736              
 -104.915             0.01402              
 -104.93              0.01321              
 -104.945             0.01368              
 -104.96              0.01382              
 -104.975             0.01356              
 -104.99              0.01342              
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 -105.02              0.01563              
 -105.035             0.01599              
 -105.05              0.01584              
 -105.065             0.01650              
 -105.08              0.01876              
 -105.095             0.02252              
 -105.11              0.02622              
 -105.125             0.02729              
 -105.14              0.02300              
 -105.155             0.01695              
 -105.17              0.01444              
 -105.185             0.01334              
 -105.2               0.01098              
 -105.215             0.00784              
 -105.23              0.00531              
 -105.245             0.00518              
 -105.26              0.00702              
 -105.275             0.00934              
 -105.29              0.01202              
 -105.305             0.01480              
 -105.32              0.01613              
 -105.335             0.01593              
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 -105.365             0.01403              
 -105.38              0.00848              
 -105.395             0.00488              
 -105.41              0.00745              
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 -105.56              0.01957              
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 -107.                0.02031              
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 -107.03              0.01995              
 -107.045             0.01693              
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 -107.075             0.01909              
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 -107.135             0.02908              
 -107.15              0.02920              
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 -107.18              0.01779              
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 -107.24              0.01141              
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 -107.27              0.01133              
 -107.285             0.00996              
 -107.3               0.00887              
 -107.315             0.00908              
 -107.33              0.01052              
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 -107.375             0.00907              
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 -107.435             0.01229              
 -107.45              0.01364              
 -107.465             0.0159               
 -107.48              0.01864              
 -107.495             0.02122              
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 -107.525             0.02557              
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 -107.6               0.03591              
 -107.615             0.03408              
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 -107.705             0.02588              
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 -107.735             0.03442              
 -107.75              0.03666              
 -107.765             0.03754              
 -107.78              0.03744              
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 -107.81              0.03899              
 -107.825             0.03994              
 -107.84              0.04083              
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 -107.9               0.05292              
 -107.915             0.05548              
 -107.93              0.05757              
 -107.945             0.05757              
 -107.96              0.05628              
 -107.975             0.05504              
 -107.99              0.05505              
 -108.005             0.05488              
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##END=
