##TITLE=              29Si MAS NMR spectrum of as-made octadecasil (quinuclidinium fluoride)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Fyfe et al. J. Am. Chem. Soc., 119, 12210-12222 (1997) Figure 2b
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/06/20 11:43:19
##SOURCE REFERENCE=   AST-29Si-Fyfe-1997-asmade
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              AST
##NAMES=              octadecasil
##SAMPLE DESCRIPTION= Octadecasil, as-made

$$Bibliographic information 
##$AUTHORS=           Fyfe, C.A., Lewis, A.R., Chezeau, J.M., Grondey, H.
##$TITLE=             Si Distance Determinations in Fluoride-Containing Octadecasil from Solid-State NMR Measurements
##$JOURNAL=           Journal of the American Chemical Society
##$VOLUME=            119
##$PAGES=             12210-12222
##$YEAR=              1997
##$DOI=               10.1021/ja9701873
##$FIGURE=            Figure 2b

$$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=    -111.571   -107.695   
##$PEAK AREAS=         1.         4.        
##$PEAK WIDTHS=        0.68925    0.48961   
##$PEAK SHAPES=        0.84668    0.84668   
##$NUMBERING REF=     Caullet et al, Eur. J. Solid State Inorg. Chem. 28, 345-361 (1991)
##$ASSIGN REF=        Fyfe et al. J. Am. Chem. Soc., 119, 12210-12222 (1997)
##$ASSIGN METHOD=     relative intensities

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 79.495
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -104.03               
##LASTX=              -113.93               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            991
##FIRSTY=              0.03544              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -104.03              0.03544              
 -104.04              0.03492              
 -104.05              0.03474              
 -104.06              0.03511              
 -104.07              0.03435              
 -104.08              0.03350              
 -104.09              0.03178              
 -104.1               0.02811              
 -104.11              0.02154              
 -104.12              0.01487              
 -104.13              0.01004              
 -104.14              0.00570              
 -104.15              0.00137              
 -104.16             -0.00208              
 -104.17             -0.00307              
 -104.18             -0.00160              
 -104.19              0.00079              
 -104.2               0.00427              
 -104.21              0.00953              
 -104.22              0.01680              
 -104.23              0.02558              
 -104.24              0.03438              
 -104.25              0.04307              
 -104.26              0.05009              
 -104.27              0.05452              
 -104.28              0.06003              
 -104.29              0.06670              
 -104.3               0.07096              
 -104.31              0.07194              
 -104.32              0.07152              
 -104.33              0.07197              
 -104.34              0.06929              
 -104.35              0.06436              
 -104.36              0.06005              
 -104.37              0.05470              
 -104.38              0.04833              
 -104.39              0.04071              
 -104.4               0.03226              
 -104.41              0.02308              
 -104.42              0.01470              
 -104.43              0.00840              
 -104.44              0.00483              
 -104.45              0.00308              
 -104.46              0.00257              
 -104.47              0.00209              
 -104.48              0.00122              
 -104.49              0.00083              
 -104.5               0.00082              
 -104.51              0.00082              
 -104.52              0.00097              
 -104.53              0.00172              
 -104.54              0.00250              
 -104.55              0.00455              
 -104.56              0.00988              
 -104.57              0.01743              
 -104.58              0.02615              
 -104.59              0.03482              
 -104.6               0.04460              
 -104.61              0.05448              
 -104.62              0.06417              
 -104.63              0.07102              
 -104.64              0.07355              
 -104.65              0.07652              
 -104.66              0.08166              
 -104.67              0.08826              
 -104.68              0.09247              
 -104.69              0.09286              
 -104.7               0.08984              
 -104.71              0.08405              
 -104.72              0.07380              
 -104.73              0.06414              
 -104.74              0.05797              
 -104.75              0.05331              
 -104.76              0.04771              
 -104.77              0.04050              
 -104.78              0.03449              
 -104.79              0.0291               
 -104.8               0.02248              
 -104.81              0.01694              
 -104.82              0.01437              
 -104.83              0.01399              
 -104.84              0.01453              
 -104.85              0.01538              
 -104.86              0.01623              
 -104.87              0.01758              
 -104.88              0.02016              
 -104.89              0.02501              
 -104.9               0.02974              
 -104.91              0.03210              
 -104.92              0.03331              
 -104.93              0.03468              
 -104.94              0.03671              
 -104.95              0.03835              
 -104.96              0.03891              
 -104.97              0.03896              
 -104.98              0.03895              
 -104.99              0.03894              
 -105.                0.03897              
 -105.01              0.03825              
 -105.02              0.03576              
 -105.03              0.03074              
 -105.04              0.02440              
 -105.05              0.01941              
 -105.06              0.01627              
 -105.07              0.01516              
 -105.08              0.01622              
 -105.09              0.01711              
 -105.1               0.01737              
 -105.11              0.01741              
 -105.12              0.01722              
 -105.13              0.01639              
 -105.14              0.01579              
 -105.15              0.01498              
 -105.16              0.01380              
 -105.17              0.01240              
 -105.18              0.00941              
 -105.19              0.00533              
 -105.2               0.00222              
 -105.21              0.00037              
 -105.22             -0.00049              
 -105.23             -0.00097              
 -105.24             -0.00172              
 -105.25             -0.00242              
 -105.26             -0.00232              
 -105.27             -0.00148              
 -105.28             -0.00067              
 -105.29              0.00123              
 -105.3               0.00515              
 -105.31              0.01108              
 -105.32              0.01736              
 -105.33              0.02418              
 -105.34              0.03032              
 -105.35              0.03395              
 -105.36              0.03760              
 -105.37              0.04324              
 -105.38              0.05012              
 -105.39              0.05443              
 -105.4               0.05693              
 -105.41              0.06043              
 -105.42              0.06533              
 -105.43              0.06826              
 -105.44              0.06882              
 -105.45              0.06877              
 -105.46              0.06859              
 -105.47              0.06542              
 -105.48              0.05892              
 -105.49              0.05391              
 -105.5               0.05196              
 -105.51              0.05113              
 -105.52              0.05063              
 -105.53              0.05055              
 -105.54              0.05053              
 -105.55              0.05099              
 -105.56              0.05186              
 -105.57              0.05270              
 -105.58              0.05409              
 -105.59              0.05574              
 -105.6               0.05797              
 -105.61              0.06076              
 -105.62              0.06384              
 -105.63              0.06758              
 -105.64              0.07082              
 -105.65              0.07320              
 -105.66              0.07465              
 -105.67              0.07436              
 -105.68              0.07216              
 -105.69              0.06902              
 -105.7               0.06541              
 -105.71              0.05962              
 -105.72              0.05227              
 -105.73              0.04534              
 -105.74              0.03876              
 -105.75              0.03328              
 -105.76              0.02822              
 -105.77              0.02248              
 -105.78              0.01736              
 -105.79              0.01622              
 -105.8               0.02011              
 -105.81              0.02866              
 -105.82              0.03763              
 -105.83              0.04461              
 -105.84              0.04981              
 -105.85              0.05308              
 -105.86              0.05646              
 -105.87              0.06146              
 -105.88              0.06798              
 -105.89              0.07436              
 -105.9               0.08117              
 -105.91              0.08729              
 -105.92              0.09048              
 -105.93              0.09148              
 -105.94              0.09120              
 -105.95              0.08998              
 -105.96              0.08748              
 -105.97              0.08363              
 -105.98              0.07870              
 -105.99              0.07094              
 -106.                0.06260              
 -106.01              0.05618              
 -106.02              0.05055              
 -106.03              0.04569              
 -106.04              0.04165              
 -106.05              0.04088              
 -106.06              0.04507              
 -106.07              0.05036              
 -106.08              0.05449              
 -106.09              0.05779              
 -106.1               0.06050              
 -106.11              0.06309              
 -106.12              0.06525              
 -106.13              0.06672              
 -106.14              0.06808              
 -106.15              0.06911              
 -106.16              0.06999              
 -106.17              0.07042              
 -106.18              0.07063              
 -106.19              0.07143              
 -106.2               0.07208              
 -106.21              0.07212              
 -106.22              0.07210              
 -106.23              0.07211              
 -106.24              0.07211              
 -106.25              0.07211              
 -106.26              0.07211              
 -106.27              0.07211              
 -106.28              0.07211              
 -106.29              0.07208              
 -106.3               0.07312              
 -106.31              0.07793              
 -106.32              0.08657              
 -106.33              0.09606              
 -106.34              0.10662              
 -106.35              0.11783              
 -106.36              0.12845              
 -106.37              0.13834              
 -106.38              0.14728              
 -106.39              0.15462              
 -106.4               0.16040              
 -106.41              0.16319              
 -106.42              0.16284              
 -106.43              0.16068              
 -106.44              0.15661              
 -106.45              0.14878              
 -106.46              0.14055              
 -106.47              0.13537              
 -106.48              0.13260              
 -106.49              0.12959              
 -106.5               0.12546              
 -106.51              0.12413              
 -106.52              0.12490              
 -106.53              0.12617              
 -106.54              0.12851              
 -106.55              0.13216              
 -106.56              0.13663              
 -106.57              0.14266              
 -106.58              0.15050              
 -106.59              0.16086              
 -106.6               0.17141              
 -106.61              0.17871              
 -106.62              0.18284              
 -106.63              0.18564              
 -106.64              0.19014              
 -106.65              0.19415              
 -106.66              0.19605              
 -106.67              0.19788              
 -106.68              0.20060              
 -106.69              0.20398              
 -106.7               0.20823              
 -106.71              0.21216              
 -106.72              0.21487              
 -106.73              0.21633              
 -106.74              0.21751              
 -106.75              0.22116              
 -106.76              0.22778              
 -106.77              0.23626              
 -106.78              0.24460              
 -106.79              0.25021              
 -106.8               0.25477              
 -106.81              0.26071              
 -106.82              0.26793              
 -106.83              0.27673              
 -106.84              0.28699              
 -106.85              0.30102              
 -106.86              0.31643              
 -106.87              0.33028              
 -106.88              0.34097              
 -106.89              0.34935              
 -106.9               0.35798              
 -106.91              0.3673               
 -106.92              0.37768              
 -106.93              0.38828              
 -106.94              0.39986              
 -106.95              0.41235              
 -106.96              0.42563              
 -106.97              0.43986              
 -106.98              0.45336              
 -106.99              0.46720              
 -107.                0.48114              
 -107.01              0.49656              
 -107.02              0.51270              
 -107.03              0.52892              
 -107.04              0.54617              
 -107.05              0.56360              
 -107.06              0.58128              
 -107.07              0.60085              
 -107.08              0.62018              
 -107.09              0.63989              
 -107.1               0.66069              
 -107.11              0.68263              
 -107.12              0.70527              
 -107.13              0.72839              
 -107.14              0.7533               
 -107.15              0.77912              
 -107.16              0.80717              
 -107.17              0.83618              
 -107.18              0.86643              
 -107.19              0.90007              
 -107.2               0.93589              
 -107.21              0.97634              
 -107.22              1.01919              
 -107.23              1.06602              
 -107.24              1.11421              
 -107.25              1.16251              
 -107.26              1.21259              
 -107.27              1.26421              
 -107.28              1.3188               
 -107.29              1.37296              
 -107.3               1.43052              
 -107.31              1.49057              
 -107.32              1.55179              
 -107.33              1.61675              
 -107.34              1.68429              
 -107.35              1.75595              
 -107.36              1.82865              
 -107.37              1.90731              
 -107.38              1.98923              
 -107.39              2.07561              
 -107.4               2.17057              
 -107.41              2.27177              
 -107.42              2.38488              
 -107.43              2.50166              
 -107.44              2.63033              
 -107.45              2.76526              
 -107.46              2.90344              
 -107.47              3.04661              
 -107.48              3.18678              
 -107.49              3.32262              
 -107.5               3.44753              
 -107.51              3.57648              
 -107.52              3.71399              
 -107.53              3.86154              
 -107.54              4.01813              
 -107.55              4.17381              
 -107.56              4.34853              
 -107.57              4.52006              
 -107.58              4.67924              
 -107.59              4.81941              
 -107.6               4.94091              
 -107.61              5.05289              
 -107.62              5.15349              
 -107.63              5.24722              
 -107.64              5.33034              
 -107.65              5.41198              
 -107.66              5.48329              
 -107.67              5.53144              
 -107.68              5.56642              
 -107.69              5.59509              
 -107.7               5.61282              
 -107.71              5.60784              
 -107.72              5.56535              
 -107.73              5.50811              
 -107.74              5.44378              
 -107.75              5.35169              
 -107.76              5.24398              
 -107.77              5.12253              
 -107.78              4.9972               
 -107.79              4.85875              
 -107.8               4.71337              
 -107.81              4.56618              
 -107.82              4.41635              
 -107.83              4.26942              
 -107.84              4.13016              
 -107.85              3.9892               
 -107.86              3.84211              
 -107.87              3.66615              
 -107.88              3.49537              
 -107.89              3.3557               
 -107.9               3.22273              
 -107.91              3.09443              
 -107.92              2.96876              
 -107.93              2.85278              
 -107.94              2.74076              
 -107.95              2.64054              
 -107.96              2.56013              
 -107.97              2.48334              
 -107.98              2.39065              
 -107.99              2.27853              
 -108.                2.17282              
 -108.01              2.07631              
 -108.02              1.98801              
 -108.03              1.90694              
 -108.04              1.82773              
 -108.05              1.75265              
 -108.06              1.67926              
 -108.07              1.6114               
 -108.08              1.54567              
 -108.09              1.48349              
 -108.1               1.42546              
 -108.11              1.36973              
 -108.12              1.31764              
 -108.13              1.26688              
 -108.14              1.21984              
 -108.15              1.17355              
 -108.16              1.12892              
 -108.17              1.08684              
 -108.18              1.04581              
 -108.19              1.00843              
 -108.2               0.97443              
 -108.21              0.94278              
 -108.22              0.91183              
 -108.23              0.88401              
 -108.24              0.85848              
 -108.25              0.83308              
 -108.26              0.80845              
 -108.27              0.78340              
 -108.28              0.75923              
 -108.29              0.73448              
 -108.3               0.70961              
 -108.31              0.68452              
 -108.32              0.65926              
 -108.33              0.63674              
 -108.34              0.61393              
 -108.35              0.59033              
 -108.36              0.5676               
 -108.37              0.54709              
 -108.38              0.52556              
 -108.39              0.50253              
 -108.4               0.48045              
 -108.41              0.45815              
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 -108.43              0.41738              
 -108.44              0.40288              
 -108.45              0.39419              
 -108.46              0.38807              
 -108.47              0.38296              
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 -108.54              0.34027              
 -108.55              0.33469              
 -108.56              0.32789              
 -108.57              0.31926              
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 -108.6               0.28365              
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 -108.66              0.21315              
 -108.67              0.20721              
 -108.68              0.2024               
 -108.69              0.19908              
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 -109.                0.13901              
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 -109.1               0.11409              
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 -109.15              0.10683              
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 -109.17              0.10474              
 -109.18              0.10108              
 -109.19              0.09560              
 -109.2               0.09155              
 -109.21              0.08893              
 -109.22              0.08754              
 -109.23              0.08589              
 -109.24              0.08237              
 -109.25              0.07767              
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 -109.27              0.06773              
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 -109.3               0.05944              
 -109.31              0.05671              
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 -109.39              0.05386              
 -109.4               0.05413              
 -109.41              0.05435              
 -109.42              0.05413              
 -109.43              0.05399              
 -109.44              0.05244              
 -109.45              0.04688              
 -109.46              0.04107              
 -109.47              0.03802              
 -109.48              0.03553              
 -109.49              0.03361              
 -109.5               0.03033              
 -109.51              0.02552              
 -109.52              0.02153              
 -109.53              0.01886              
 -109.54              0.02067              
 -109.55              0.02569              
 -109.56              0.03105              
 -109.57              0.03656              
 -109.58              0.04138              
 -109.59              0.04574              
 -109.6               0.04917              
 -109.61              0.05099              
 -109.62              0.05245              
 -109.63              0.05352              
 -109.64              0.05423              
 -109.65              0.05510              
 -109.66              0.05553              
 -109.67              0.05549              
 -109.68              0.05628              
 -109.69              0.05694              
 -109.7               0.05608              
 -109.71              0.05371              
 -109.72              0.05083              
 -109.73              0.04599              
 -109.74              0.04101              
 -109.75              0.03994              
 -109.76              0.04219              
 -109.77              0.04560              
 -109.78              0.05053              
 -109.79              0.05607              
 -109.8               0.06083              
 -109.81              0.06520              
 -109.82              0.06991              
 -109.83              0.07632              
 -109.84              0.08203              
 -109.85              0.08593              
 -109.86              0.08856              
 -109.87              0.09011              
 -109.88              0.09132              
 -109.89              0.09198              
 -109.9               0.09186              
 -109.91              0.09103              
 -109.92              0.08949              
 -109.93              0.08686              
 -109.94              0.08159              
 -109.95              0.07512              
 -109.96              0.07006              
 -109.97              0.06599              
 -109.98              0.06245              
 -109.99              0.05973              
 -110.                0.05780              
 -110.01              0.05636              
 -110.02              0.05489              
 -110.03              0.05391              
 -110.04              0.05387              
 -110.05              0.05388              
 -110.06              0.05387              
 -110.07              0.05388              
 -110.08              0.05384              
 -110.09              0.05430              
 -110.1               0.05519              
 -110.11              0.05551              
 -110.12              0.05611              
 -110.13              0.05702              
 -110.14              0.05874              
 -110.15              0.06261              
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##END=
