##TITLE=              29Si MAS NMR spectrum of calcined pure silica octadecasil
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Villaescusa et al. Chem. Mater., 10, 3966-3973 (1998) Figure 4
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/06/20 11:44:43
##SOURCE REFERENCE=   AST-29Si-Villaescusa-1998
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AST
##NAMES=              octadecasil
##SAMPLE DESCRIPTION= Octadecasil, calcined

$$Bibliographic information 
##$AUTHORS=           Villaescusa, L.A., Barrett, P.A., Camblor, M.A.
##$TITLE=             Calcination of Octadecasil: Fluoride Removal and Symmetry of the Pure SiO2 Host
##$JOURNAL=           Chemistry of Materials
##$VOLUME=            10
##$PAGES=             3966-3973
##$YEAR=              1998
##$DOI=               10.1021/cm9804113
##$FIGURE=            Figure 4

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         2
##$PEAK TSITES=        T2         T1        
##$PEAK LABELS=        Si2        Si1       
##$PEAK POSITIONS=    -114.724   -111.774   
##$PEAK AREAS=         1.         4.        
##$PEAK WIDTHS=        1.76069    0.57508   
##$PEAK SHAPES=        0.72632    0.72632   
##$NUMBERING REF=     Villaescusa et al. Chem. Mater., 10, 3966-3973 (1998)
##$ASSIGN REF=        Villaescusa et al. Chem. Mater., 10, 3966-3973 (1998)
##$ASSIGN METHOD=     relative intensities

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 79.459
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     5500

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -95.01                
##LASTX=              -129.97               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            3497
##FIRSTY=             -0.04023              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -95.01              -0.04023              
 -95.02              -0.04020              
 -95.03              -0.04064              
 -95.04              -0.04104              
 -95.05              -0.04014              
 -95.06              -0.03754              
 -95.07              -0.03510              
 -95.08              -0.03447              
 -95.09              -0.03493              
 -95.1               -0.03527              
 -95.11              -0.03518              
 -95.12              -0.03484              
 -95.13              -0.03471              
 -95.14              -0.03550              
 -95.15              -0.03720              
 -95.16              -0.03890              
 -95.17              -0.03994              
 -95.18              -0.04043              
 -95.19              -0.04058              
 -95.2               -0.04048              
 -95.21              -0.04021              
 -95.22              -0.04021              
 -95.23              -0.04107              
 -95.24              -0.04278              
 -95.25              -0.04482              
 -95.26              -0.04578              
 -95.27              -0.04307              
 -95.28              -0.03650              
 -95.29              -0.03146              
 -95.3               -0.03178              
 -95.31              -0.03207              
 -95.32              -0.02598              
 -95.33              -0.01657              
 -95.34              -0.01071              
 -95.35              -0.01027              
 -95.36              -0.01320              
 -95.37              -0.01526              
 -95.38              -0.00953              
 -95.39               0.00541              
 -95.4                0.01887              
 -95.41               0.02204              
 -95.42               0.01927              
 -95.43               0.01742              
 -95.44               0.01894              
 -95.45               0.02422              
 -95.46               0.03067              
 -95.47               0.03367              
 -95.48               0.03297              
 -95.49               0.03359              
 -95.5                0.03790              
 -95.51               0.04211              
 -95.52               0.04301              
 -95.53               0.04215              
 -95.54               0.04181              
 -95.55               0.04200              
 -95.56               0.04189              
 -95.57               0.04174              
 -95.58               0.04252              
 -95.59               0.04331              
 -95.6                0.04101              
 -95.61               0.03492              
 -95.62               0.02928              
 -95.63               0.02765              
 -95.64               0.02911              
 -95.65               0.03153              
 -95.66               0.03110              
 -95.67               0.02394              
 -95.68               0.01364              
 -95.69               0.00846              
 -95.7                0.00938              
 -95.71               0.00919              
 -95.72               0.00396              
 -95.73              -0.00324              
 -95.74              -0.00905              
 -95.75              -0.01171              
 -95.76              -0.01064              
 -95.77              -0.01048              
 -95.78              -0.01705              
 -95.79              -0.02739              
 -95.8               -0.03323              
 -95.81              -0.03276              
 -95.82              -0.03125              
 -95.83              -0.03220              
 -95.84              -0.03538              
 -95.85              -0.03985              
 -95.86              -0.04370              
 -95.87              -0.04519              
 -95.88              -0.04452              
 -95.89              -0.04266              
 -95.9               -0.04086              
 -95.91              -0.04049              
 -95.92              -0.04097              
 -95.93              -0.03975              
 -95.94              -0.03582              
 -95.95              -0.03103              
 -95.96              -0.02731              
 -95.97              -0.02603              
 -95.98              -0.02756              
 -95.99              -0.02738              
 -96.                -0.02022              
 -96.01              -0.00987              
 -96.02              -0.00506              
 -96.03              -0.00620              
 -96.04              -0.00551              
 -96.05               0.00033              
 -96.06               0.00675              
 -96.07               0.00985              
 -96.08               0.00986              
 -96.09               0.00821              
 -96.1                0.00864              
 -96.11               0.01495              
 -96.12               0.02419              
 -96.13               0.02987              
 -96.14               0.03043              
 -96.15               0.02898              
 -96.16               0.02859              
 -96.17               0.03201              
 -96.18               0.03986              
 -96.19               0.04708              
 -96.2                0.04903              
 -96.21               0.04776              
 -96.22               0.04704              
 -96.23               0.04731              
 -96.24               0.04731              
 -96.25               0.04707              
 -96.26               0.04784              
 -96.27               0.04893              
 -96.28               0.04674              
 -96.29               0.03986              
 -96.3                0.03328              
 -96.31               0.03163              
 -96.32               0.03280              
 -96.33               0.03302              
 -96.34               0.03105              
 -96.35               0.02702              
 -96.36               0.02246              
 -96.37               0.02005              
 -96.38               0.02027              
 -96.39               0.02041              
 -96.4                0.01878              
 -96.41               0.01697              
 -96.42               0.01655              
 -96.43               0.01688              
 -96.44               0.01676              
 -96.45               0.01581              
 -96.46               0.01404              
 -96.47               0.01218              
 -96.48               0.01150              
 -96.49               0.01188              
 -96.5                0.01127              
 -96.51               0.00871              
 -96.52               0.00620              
 -96.53               0.00560              
 -96.54               0.00607              
 -96.55               0.00628              
 -96.56               0.00617              
 -96.57               0.00628              
 -96.58               0.00640              
 -96.59               0.00583              
 -96.6                0.00515              
 -96.61               0.00677              
 -96.62               0.01161              
 -96.63               0.01690              
 -96.64               0.01996              
 -96.65               0.02063              
 -96.66               0.01961              
 -96.67               0.01952              
 -96.68               0.02349              
 -96.69               0.03002              
 -96.7                0.03415              
 -96.71               0.03418              
 -96.72               0.03280              
 -96.73               0.03222              
 -96.74               0.03308              
 -96.75               0.03543              
 -96.76               0.03805              
 -96.77               0.03947              
 -96.78               0.03911              
 -96.79               0.03681              
 -96.8                0.03397              
 -96.81               0.03301              
 -96.82               0.03369              
 -96.83               0.03242              
 -96.84               0.02730              
 -96.85               0.02033              
 -96.86               0.01389              
 -96.87               0.01002              
 -96.88               0.00997              
 -96.89               0.01046              
 -96.9                0.00678              
 -96.91               0.00017              
 -96.92              -0.00401              
 -96.93              -0.00401              
 -96.94              -0.00241              
 -96.95              -0.00156              
 -96.96              -0.00290              
 -96.97              -0.00692              
 -96.98              -0.01124              
 -96.99              -0.01322              
 -97.                -0.01252              
 -97.01              -0.00977              
 -97.02              -0.00623              
 -97.03              -0.00359              
 -97.04              -0.00261              
 -97.05              -0.00299              
 -97.06              -0.00374              
 -97.07              -0.00263              
 -97.08               0.00149              
 -97.09               0.00577              
 -97.1                0.00713              
 -97.11               0.00644              
 -97.12               0.00595              
 -97.13               0.00608              
 -97.14               0.00616              
 -97.15               0.00605              
 -97.16               0.00630              
 -97.17               0.00676              
 -97.18               0.00604              
 -97.19               0.00344              
 -97.2                0.00096              
 -97.21               0.00058              
 -97.22               0.00093              
 -97.23              -0.00033              
 -97.24              -0.00385              
 -97.25              -0.00904              
 -97.26              -0.01445              
 -97.27              -0.01771              
 -97.28              -0.01796              
 -97.29              -0.01705              
 -97.3               -0.01666              
 -97.31              -0.01704              
 -97.32              -0.01793              
 -97.33              -0.01772              
 -97.34              -0.01465              
 -97.35              -0.01004              
 -97.36              -0.00703              
 -97.37              -0.00689              
 -97.38              -0.00897              
 -97.39              -0.01088              
 -97.4               -0.00738              
 -97.41               0.00364              
 -97.42               0.01448              
 -97.43               0.01756              
 -97.44               0.01570              
 -97.45               0.01477              
 -97.46               0.01676              
 -97.47               0.02140              
 -97.48               0.02690              
 -97.49               0.03004              
 -97.5                0.02993              
 -97.51               0.02952              
 -97.52               0.03092              
 -97.53               0.03293              
 -97.54               0.03410              
 -97.55               0.03469              
 -97.56               0.03530              
 -97.57               0.03457              
 -97.58               0.03022              
 -97.59               0.02368              
 -97.6                0.01978              
 -97.61               0.01998              
 -97.62               0.02043              
 -97.63               0.01839              
 -97.64               0.01531              
 -97.65               0.01299              
 -97.66               0.01173              
 -97.67               0.01131              
 -97.68               0.01142              
 -97.69               0.01170              
 -97.7                0.01178              
 -97.71               0.01130              
 -97.72               0.01076              
 -97.73               0.01190              
 -97.74               0.01561              
 -97.75               0.02031              
 -97.76               0.02418              
 -97.77               0.02592              
 -97.78               0.02487              
 -97.79               0.02446              
 -97.8                0.02980              
 -97.81               0.03918              
 -97.82               0.04519              
 -97.83               0.04519              
 -97.84               0.04366              
 -97.85               0.04424              
 -97.86               0.04728              
 -97.87               0.05215              
 -97.88               0.05600              
 -97.89               0.05606              
 -97.9                0.05543              
 -97.91               0.05954              
 -97.92               0.06716              
 -97.93               0.07169              
 -97.94               0.07129              
 -97.95               0.07086              
 -97.96               0.07363              
 -97.97               0.07783              
 -97.98               0.08127              
 -97.99               0.08312              
 -98.                 0.08310              
 -98.01               0.08285              
 -98.02               0.08471              
 -98.03               0.08836              
 -98.04               0.09144              
 -98.05               0.09305              
 -98.06               0.09429              
 -98.07               0.09533              
 -98.08               0.09400              
 -98.09               0.08900              
 -98.1                0.08387              
 -98.11               0.08255              
 -98.12               0.08331              
 -98.13               0.08215              
 -98.14               0.07853              
 -98.15               0.07451              
 -98.16               0.07164              
 -98.17               0.07070              
 -98.18               0.07132              
 -98.19               0.07066              
 -98.2                0.06680              
 -98.21               0.06233              
 -98.22               0.06043              
 -98.23               0.06110              
 -98.24               0.06292              
 -98.25               0.06336              
 -98.26               0.05930              
 -98.27               0.05175              
 -98.28               0.04681              
 -98.29               0.04705              
 -98.3                0.04735              
 -98.31               0.04363              
 -98.32               0.03896              
 -98.33               0.03735              
 -98.34               0.03809              
 -98.35               0.03875              
 -98.36               0.03865              
 -98.37               0.03827              
 -98.38               0.03813              
 -98.39               0.03865              
 -98.4                0.03942              
 -98.41               0.03830              
 -98.42               0.03416              
 -98.43               0.02989              
 -98.44               0.02858              
 -98.45               0.02925              
 -98.46               0.02947              
 -98.47               0.02853              
 -98.48               0.02685              
 -98.49               0.02506              
 -98.5                0.02389              
 -98.51               0.02372              
 -98.52               0.02413              
 -98.53               0.02456              
 -98.54               0.02424              
 -98.55               0.02263              
 -98.56               0.02085              
 -98.57               0.02041              
 -98.58               0.02071              
 -98.59               0.01987              
 -98.6                0.01790              
 -98.61               0.01683              
 -98.62               0.01723              
 -98.63               0.01680              
 -98.64               0.01393              
 -98.65               0.01015              
 -98.66               0.00736              
 -98.67               0.00618              
 -98.68               0.00661              
 -98.69               0.00693              
 -98.7                0.00452              
 -98.71              -0.00013              
 -98.72              -0.00339              
 -98.73              -0.00358              
 -98.74              -0.00272              
 -98.75              -0.00254              
 -98.76              -0.00276              
 -98.77              -0.00285              
 -98.78              -0.00280              
 -98.79              -0.00279              
 -98.8               -0.00280              
 -98.81              -0.00273              
 -98.82              -0.00267              
 -98.83              -0.00291              
 -98.84              -0.00324              
 -98.85              -0.00263              
 -98.86              -0.00048              
 -98.87               0.00235              
 -98.88               0.00480              
 -98.89               0.00610              
 -98.9                0.00580              
 -98.91               0.00551              
 -98.92               0.00782              
 -98.93               0.01237              
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 -98.95               0.01723              
 -98.96               0.01683              
 -98.97               0.01613              
 -98.98               0.01679              
 -98.99               0.01989              
 -99.                 0.02345              
 -99.01               0.02487              
 -99.02               0.02443              
 -99.03               0.02387              
 -99.04               0.02389              
 -99.05               0.02423              
 -99.06               0.02445              
 -99.07               0.02396              
 -99.08               0.02299              
 -99.09               0.02394              
 -99.1                0.02858              
 -99.11               0.03392              
 -99.12               0.03609              
 -99.13               0.03541              
 -99.14               0.03434              
 -99.15               0.03423              
 -99.16               0.03546              
 -99.17               0.03746              
 -99.18               0.03845              
 -99.19               0.03784              
 -99.2                0.03836              
 -99.21               0.04218              
 -99.22               0.04668              
 -99.23               0.04840              
 -99.24               0.04779              
 -99.25               0.04714              
 -99.26               0.04721              
 -99.27               0.04751              
 -99.28               0.04761              
 -99.29               0.04731              
 -99.3                0.04681              
 -99.31               0.04737              
 -99.32               0.04979              
 -99.33               0.05241              
 -99.34               0.05325              
 -99.35               0.05287              
 -99.36               0.05295              
 -99.37               0.05324              
 -99.38               0.05204              
 -99.39               0.04929              
 -99.4                0.04714              
 -99.41               0.04688              
 -99.42               0.04740              
 -99.43               0.04755              
 -99.44               0.04743              
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 -99.5                0.04756              
 -99.51               0.04730              
 -99.52               0.04683              
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 -99.6                0.05197              
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 -99.65               0.04755              
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 -99.67               0.04736              
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 -99.7                0.04741              
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 -99.95               0.05274              
 -99.96               0.05263              
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 -100.                0.05072              
 -100.01              0.04801              
 -100.02              0.04684              
 -100.03              0.04713              
 -100.04              0.04753              
 -100.05              0.04750              
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 -100.1               0.04739              
 -100.11              0.04752              
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 -100.13              0.04704              
 -100.14              0.04691              
 -100.15              0.04841              
 -100.16              0.05118              
 -100.17              0.05319              
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 -100.2               0.05196              
 -100.21              0.05261              
 -100.22              0.05553              
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 -100.24              0.06115              
 -100.25              0.06086              
 -100.26              0.05848              
 -100.27              0.05497              
 -100.28              0.05198              
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 -100.3               0.05115              
 -100.31              0.05259              
 -100.32              0.05131              
 -100.33              0.04454              
 -100.34              0.03645              
 -100.35              0.03275              
 -100.36              0.03365              
 -100.37              0.03627              
 -100.38              0.03661              
 -100.39              0.02966              
 -100.4               0.01606              
 -100.41              0.00520              
 -100.42              0.00326              
 -100.43              0.00599              
 -100.44              0.00805              
 -100.45              0.00708              
 -100.46              0.00205              
 -100.47             -0.00430              
 -100.48             -0.00755              
 -100.49             -0.00717              
 -100.5              -0.00609              
 -100.51             -0.00598              
 -100.52             -0.00646              
 -100.53             -0.00688              
 -100.54             -0.00642              
 -100.55             -0.00433              
 -100.56             -0.00041              
 -100.57              0.00513              
 -100.58              0.01024              
 -100.59              0.01205              
 -100.6               0.01141              
 -100.61              0.01226              
 -100.62              0.01578              
 -100.63              0.01915              
 -100.64              0.02042              
 -100.65              0.02051              
 -100.66              0.02054              
 -100.67              0.02054              
 -100.68              0.02034              
 -100.69              0.02031              
 -100.7               0.02102              
 -100.71              0.02143              
 -100.72              0.01925              
 -100.73              0.01465              
 -100.74              0.01115              
 -100.75              0.01077              
 -100.76              0.01154              
 -100.77              0.01123              
 -100.78              0.00880              
 -100.79              0.00388              
 -100.8              -0.00134              
 -100.81             -0.00375              
 -100.82             -0.00335              
 -100.83             -0.00257              
 -100.84             -0.00258              
 -100.85             -0.00282              
 -100.86             -0.00285              
 -100.87             -0.00278              
 -100.88             -0.00276              
 -100.89             -0.00278              
 -100.9              -0.00279              
 -100.91             -0.00279              
 -100.92             -0.00278              
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 -100.94             -0.00280              
 -100.95             -0.00283              
 -100.96             -0.00276              
 -100.97             -0.00263              
 -100.98             -0.00279              
 -100.99             -0.00332              
 -101.               -0.00303              
 -101.01             -0.00081              
 -101.02              0.00192              
 -101.03              0.00292              
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##END=
