##TITLE=              29Si MAS NMR spectrum of dealuminated pure silica ZSM-5 at 393K (orthorhombic)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Fyfe et al. J. Am. Chem. Soc., 110, 3373-3380 (1988) Figure 3a
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/06/05 15:37:04
##SOURCE REFERENCE=   MFI-29Si-Fyfe-1988-393K
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              MFI
##NAMES=              ZSM-5
##NAMES=              Silicalite-1
##SAMPLE DESCRIPTION= calcined, pure silica, dealuminated
##TEMPERATURE=        393K

$$Bibliographic information 
##$AUTHORS=           Fyfe, C.A., Strobl, H., Kokotailo, G.T., Kennedy, G.J., Barlow, G.E.
##$TITLE=             Ultra-high-resolution 29Si solid-state MAS NMR investigation of sorbate and temperature-induced changes in the lattice structure of zeolite ZSM-5
##$JOURNAL=           Journal of the American Chemical Society
##$VOLUME=            110
##$PAGES=             3373-3380
##$YEAR=              1988
##$DOI=               10.1021/ja00219a005
##$FIGURE=            Figure 3a

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         12
##$PEAK TSITES=        T8         T4         T2         T11        T3         T5         T6         T12        T1         T7         T10        T9        
##$PEAK LABELS=        Si8        Si4        Si2        Si11       Si3        Si5        Si6        Si12       Si1        Si7        Si10       Si9       
##$PEAK POSITIONS=    -117.067   -116.609   -115.851   -115.713   -115.688   -114.135   -113.998   -113.998   -113.342   -113.165   -112.441   -112.163   
##$PEAK AREAS=         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.        
##$PEAK WIDTHS=        0.27788    0.25609    0.15783    0.15783    0.15783    0.1343     0.1343     0.1343     0.12821    0.13092    0.16901    0.15798   
##$PEAK SHAPES=        0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365    0.52365   
##$NUMBERING REF=     van Koningsveld, Acta Cryst B 46, 731-735 (1990)
##$ASSIGN REF=        Fyfe et al. J. Am. Chem. Soc. 112, 8812-8820 (1990) Figure 5
##$ASSIGN METHOD=     2D correlation NMR

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 79.5
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -108.                 
##LASTX=              -118.02               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            1003
##FIRSTY=              0.05149              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -108.                0.05149              
 -108.01              0.04819              
 -108.02              0.05665              
 -108.03              0.07630              
 -108.04              0.07346              
 -108.05              0.07435              
 -108.06              0.08527              
 -108.07              0.09750              
 -108.08              0.09558              
 -108.09              0.11744              
 -108.1               0.10908              
 -108.11              0.09303              
 -108.12              0.10509              
 -108.13              0.07447              
 -108.14              0.01685              
 -108.15              0.01426              
 -108.16              0.00027              
 -108.17             -0.02134              
 -108.18             -0.03174              
 -108.19             -0.04678              
 -108.2              -0.00887              
 -108.21              0.01594              
 -108.22              0.01199              
 -108.23              0.07426              
 -108.24              0.13902              
 -108.25              0.15270              
 -108.26              0.17150              
 -108.27              0.16882              
 -108.28              0.16911              
 -108.29              0.16917              
 -108.3               0.17135              
 -108.31              0.12948              
 -108.32              0.10437              
 -108.33              0.06856              
 -108.34              0.02559              
 -108.35              0.01203              
 -108.36              0.01580              
 -108.37              0.01295              
 -108.38              0.01891              
 -108.39              0.04073              
 -108.4               0.05129              
 -108.41              0.07346              
 -108.42              0.08513              
 -108.43              0.09405              
 -108.44              0.11644              
 -108.45              0.12261              
 -108.46              0.12367              
 -108.47              0.11083              
 -108.48              0.09601              
 -108.49              0.09604              
 -108.5               0.08323              
 -108.51              0.07265              
 -108.52              0.06188              
 -108.53              0.05140              
 -108.54              0.02851              
 -108.55              0.02689              
 -108.56              0.01704              
 -108.57              0.02102              
 -108.58              0.02761              
 -108.59              0.02842              
 -108.6               0.04959              
 -108.61              0.08275              
 -108.62              0.09913              
 -108.63              0.09758              
 -108.64              0.09789              
 -108.65              0.09855              
 -108.66              0.08633              
 -108.67              0.09082              
 -108.68              0.04602              
 -108.69              0.01466              
 -108.7               0.01157              
 -108.71             -0.00821              
 -108.72             -0.02278              
 -108.73             -0.02167              
 -108.74             -0.01844              
 -108.75              0.00397              
 -108.76              0.01435              
 -108.77              0.04512              
 -108.78              0.09903              
 -108.79              0.14033              
 -108.8               0.14528              
 -108.81              0.15581              
 -108.82              0.18321              
 -108.83              0.19403              
 -108.84              0.19485              
 -108.85              0.18662              
 -108.86              0.15496              
 -108.87              0.15758              
 -108.88              0.15738              
 -108.89              0.15730              
 -108.9               0.15712              
 -108.91              0.15831              
 -108.92              0.15061              
 -108.93              0.13924              
 -108.94              0.12688              
 -108.95              0.12221              
 -108.96              0.11683              
 -108.97              0.09376              
 -108.98              0.08595              
 -108.99              0.08579              
 -109.                0.07445              
 -109.01              0.07493              
 -109.02              0.05749              
 -109.03              0.03139              
 -109.04              0.02622              
 -109.05              0.02119              
 -109.06              0.01218              
 -109.07              0.01864              
 -109.08              0.02782              
 -109.09              0.02571              
 -109.1               0.02755              
 -109.11              0.05025              
 -109.12              0.08267              
 -109.13              0.11638              
 -109.14              0.13939              
 -109.15              0.16258              
 -109.16              0.17213              
 -109.17              0.16328              
 -109.18              0.15427              
 -109.19              0.13506              
 -109.2               0.08138              
 -109.21              0.01835              
 -109.22             -0.02413              
 -109.23             -0.06797              
 -109.24             -0.06945              
 -109.25             -0.06829              
 -109.26             -0.06833              
 -109.27             -0.07035              
 -109.28             -0.05819              
 -109.29             -0.02926              
 -109.3               0.00601              
 -109.31              0.03173              
 -109.32              0.04084              
 -109.33              0.05095              
 -109.34              0.05023              
 -109.35              0.05027              
 -109.36              0.05029              
 -109.37              0.05042              
 -109.38              0.04970              
 -109.39              0.05258              
 -109.4               0.03870              
 -109.41              0.01970              
 -109.42              0.01102              
 -109.43             -0.00110              
 -109.44             -0.00990              
 -109.45             -0.00903              
 -109.46             -0.00916              
 -109.47             -0.00916              
 -109.48             -0.00916              
 -109.49             -0.00914              
 -109.5              -0.00925              
 -109.51             -0.00881              
 -109.52             -0.01036              
 -109.53             -0.00437              
 -109.54              0.00393              
 -109.55              0.00258              
 -109.56              0.00237              
 -109.57             -0.01139              
 -109.58             -0.04453              
 -109.59             -0.05621              
 -109.6              -0.06503              
 -109.61             -0.08753              
 -109.62             -0.09376              
 -109.63             -0.09270              
 -109.64             -0.08847              
 -109.65             -0.07355              
 -109.66             -0.07126              
 -109.67             -0.05882              
 -109.68             -0.00279              
 -109.69              0.01503              
 -109.7               0.02577              
 -109.71              0.04856              
 -109.72              0.05017              
 -109.73              0.05872              
 -109.74              0.06336              
 -109.75              0.06151              
 -109.76              0.06341              
 -109.77              0.05805              
 -109.78              0.04909              
 -109.79              0.05055              
 -109.8               0.05027              
 -109.81              0.05027              
 -109.82              0.05014              
 -109.83              0.05897              
 -109.84              0.08848              
 -109.85              0.12432              
 -109.86              0.14319              
 -109.87              0.14586              
 -109.88              0.14538              
 -109.89              0.14519              
 -109.9               0.14597              
 -109.91              0.12452              
 -109.92              0.07102              
 -109.93              0.06215              
 -109.94              0.03081              
 -109.95             -0.01592              
 -109.96             -0.02321              
 -109.97             -0.01985              
 -109.98             -0.02301              
 -109.99             -0.01358              
 -110.               -0.01301              
 -110.01              0.00778              
 -110.02              0.05618              
 -110.03              0.04868              
 -110.04              0.05112              
 -110.05              0.06218              
 -110.06              0.05162              
 -110.07              0.04248              
 -110.08              0.01184              
 -110.09             -0.00646              
 -110.1              -0.01612              
 -110.11             -0.02218              
 -110.12             -0.02081              
 -110.13             -0.02089              
 -110.14             -0.02154              
 -110.15             -0.00282              
 -110.16              0.05177              
 -110.17              0.06156              
 -110.18              0.09231              
 -110.19              0.12677              
 -110.2               0.15197              
 -110.21              0.16386              
 -110.22              0.18202              
 -110.23              0.19734              
 -110.24              0.18493              
 -110.25              0.16502              
 -110.26              0.13415              
 -110.27              0.06835              
 -110.28              0.03166              
 -110.29             -0.02376              
 -110.3              -0.06480              
 -110.31             -0.07804              
 -110.32             -0.09025              
 -110.33             -0.08698              
 -110.34             -0.07446              
 -110.35             -0.06129              
 -110.36             -0.03113              
 -110.37              0.01641              
 -110.38              0.05453              
 -110.39              0.07740              
 -110.4               0.12146              
 -110.41              0.12182              
 -110.42              0.12485              
 -110.43              0.08602              
 -110.44              0.06364              
 -110.45              0.05547              
 -110.46              0.04880              
 -110.47              0.05144              
 -110.48              0.04784              
 -110.49              0.05713              
 -110.5               0.10617              
 -110.51              0.14665              
 -110.52              0.15667              
 -110.53              0.18916              
 -110.54              0.19874              
 -110.55              0.15640              
 -110.56              0.14106              
 -110.57              0.09690              
 -110.58              0.04241              
 -110.59              0.01050              
 -110.6              -0.03307              
 -110.61             -0.04178              
 -110.62             -0.01975              
 -110.63             -0.02090              
 -110.64             -0.00948              
 -110.65             -0.01038              
 -110.66              0.01538              
 -110.67              0.06227              
 -110.68              0.08340              
 -110.69              0.09231              
 -110.7               0.09923              
 -110.71              0.09706              
 -110.72              0.09927              
 -110.73              0.09447              
 -110.74              0.07284              
 -110.75              0.07412              
 -110.76              0.07468              
 -110.77              0.06367              
 -110.78              0.06158              
 -110.79              0.06240              
 -110.8               0.06212              
 -110.81              0.06218              
 -110.82              0.06226              
 -110.83              0.06193              
 -110.84              0.06288              
 -110.85              0.06055              
 -110.86              0.05014              
 -110.87              0.05050              
 -110.88              0.02836              
 -110.89              0.02555              
 -110.9               0.02688              
 -110.91              0.02642              
 -110.92              0.02637              
 -110.93              0.02714              
 -110.94              0.02447              
 -110.95              0.03314              
 -110.96              0.05190              
 -110.97              0.05106              
 -110.98              0.06254              
 -110.99              0.06228              
 -111.                0.06210              
 -111.01              0.06221              
 -111.02              0.06225              
 -111.03              0.06185              
 -111.04              0.06339              
 -111.05              0.05705              
 -111.06              0.04877              
 -111.07              0.05156              
 -111.08              0.06829              
 -111.09              0.10050              
 -111.1               0.10987              
 -111.11              0.12029              
 -111.12              0.14295              
 -111.13              0.14665              
 -111.14              0.14428              
 -111.15              0.14843              
 -111.16              0.13055              
 -111.17              0.09209              
 -111.18              0.06846              
 -111.19              0.05906              
 -111.2               0.04956              
 -111.21              0.05026              
 -111.22              0.05028              
 -111.23              0.06107              
 -111.24              0.07149              
 -111.25              0.09061              
 -111.26              0.11584              
 -111.27              0.12264              
 -111.28              0.12333              
 -111.29              0.11323              
 -111.3               0.09332              
 -111.31              0.08143              
 -111.32              0.05926              
 -111.33              0.05013              
 -111.34              0.05032              
 -111.35              0.04959              
 -111.36              0.06667              
 -111.37              0.10878              
 -111.38              0.14048              
 -111.39              0.14663              
 -111.4               0.14508              
 -111.41              0.14550              
 -111.42              0.14519              
 -111.43              0.12470              
 -111.44              0.08258              
 -111.45              0.07367              
 -111.46              0.05182              
 -111.47              0.02818              
 -111.48              0.02649              
 -111.49              0.02342              
 -111.5               0.04751              
 -111.51              0.07368              
 -111.52              0.10665              
 -111.53              0.14222              
 -111.54              0.14543              
 -111.55              0.16543              
 -111.56              0.20691              
 -111.57              0.20490              
 -111.58              0.21625              
 -111.59              0.21549              
 -111.6               0.23536              
 -111.61              0.24232              
 -111.62              0.24005              
 -111.63              0.24047              
 -111.64              0.24139              
 -111.65              0.23748              
 -111.66              0.22603              
 -111.67              0.21375              
 -111.68              0.19118              
 -111.69              0.16951              
 -111.7               0.14741              
 -111.71              0.13459              
 -111.72              0.13310              
 -111.73              0.13383              
 -111.74              0.13290              
 -111.75              0.13685              
 -111.76              0.15550              
 -111.77              0.17147              
 -111.78              0.16841              
 -111.79              0.16995              
 -111.8               0.16840              
 -111.81              0.14600              
 -111.82              0.14485              
 -111.83              0.14574              
 -111.84              0.14516              
 -111.85              0.14608              
 -111.86              0.1432               
 -111.87              0.15510              
 -111.88              0.17509              
 -111.89              0.18416              
 -111.9               0.19515              
 -111.91              0.20670              
 -111.92              0.21668              
 -111.93              0.21506              
 -111.94              0.27527              
 -111.95              0.35843              
 -111.96              0.45998              
 -111.97              0.47589              
 -111.98              0.61648              
 -111.99              0.76456              
 -112.                0.80098              
 -112.01              0.91586              
 -112.02              1.01953              
 -112.03              1.10419              
 -112.04              1.18015              
 -112.05              1.31198              
 -112.06              1.60816              
 -112.07              1.69687              
 -112.08              2.10102              
 -112.09              2.60835              
 -112.1               2.91214              
 -112.11              3.50505              
 -112.12              4.10727              
 -112.13              4.37761              
 -112.14              4.9654               
 -112.15              5.2511               
 -112.16              5.17717              
 -112.17              5.16984              
 -112.18              4.97112              
 -112.19              4.42877              
 -112.2               4.0438               
 -112.21              3.93206              
 -112.22              3.47646              
 -112.23              3.00444              
 -112.24              2.85169              
 -112.25              2.52819              
 -112.26              2.3398               
 -112.27              2.23313              
 -112.28              2.09058              
 -112.29              1.98651              
 -112.3               1.93767              
 -112.31              1.89777              
 -112.32              1.85315              
 -112.33              1.90552              
 -112.34              1.94568              
 -112.35              2.01036              
 -112.36              2.3873               
 -112.37              2.80198              
 -112.38              3.05776              
 -112.39              3.80581              
 -112.4               4.14676              
 -112.41              4.32726              
 -112.42              4.87733              
 -112.43              5.11619              
 -112.44              4.97404              
 -112.45              4.96751              
 -112.46              4.62107              
 -112.47              4.05404              
 -112.48              3.84552              
 -112.49              3.39339              
 -112.5               2.94999              
 -112.51              2.71686              
 -112.52              2.28424              
 -112.53              1.93373              
 -112.54              1.80776              
 -112.55              1.7019               
 -112.56              1.49197              
 -112.57              1.36962              
 -112.58              1.33561              
 -112.59              1.23842              
 -112.6               1.13235              
 -112.61              1.06737              
 -112.62              1.01998              
 -112.63              0.88715              
 -112.64              0.80400              
 -112.65              0.77174              
 -112.66              0.62008              
 -112.67              0.47121              
 -112.68              0.42787              
 -112.69              0.39623              
 -112.7               0.33679              
 -112.71              0.30789              
 -112.72              0.29369              
 -112.73              0.26260              
 -112.74              0.26424              
 -112.75              0.25278              
 -112.76              0.25385              
 -112.77              0.22705              
 -112.78              0.18885              
 -112.79              0.17568              
 -112.8               0.14737              
 -112.81              0.10249              
 -112.82              0.08064              
 -112.83              0.07074              
 -112.84              0.08119              
 -112.85              0.12354              
 -112.86              0.13379              
 -112.87              0.20034              
 -112.88              0.21735              
 -112.89              0.22281              
 -112.9               0.24856              
 -112.91              0.24048              
 -112.92              0.22307              
 -112.93              0.20346              
 -112.94              0.17368              
 -112.95              0.16964              
 -112.96              0.16772              
 -112.97              0.17156              
 -112.98              0.22756              
 -112.99              0.27166              
 -113.                0.32160              
 -113.01              0.39848              
 -113.02              0.44729              
 -113.03              0.46506              
 -113.04              0.54700              
 -113.05              0.69647              
 -113.06              0.79867              
 -113.07              0.93844              
 -113.08              1.46369              
 -113.09              2.25548              
 -113.1               2.74686              
 -113.11              3.7803               
 -113.12              4.37153              
 -113.13              4.81603              
 -113.14              5.69238              
 -113.15              6.17834              
 -113.16              6.05914              
 -113.17              6.03383              
 -113.18              5.81702              
 -113.19              5.17545              
 -113.2               4.8973               
 -113.21              4.44105              
 -113.22              3.91056              
 -113.23              3.76922              
 -113.24              3.51124              
 -113.25              3.36994              
 -113.26              3.67386              
 -113.27              3.75111              
 -113.28              4.16447              
 -113.29              4.89259              
 -113.3               5.16097              
 -113.31              5.70064              
 -113.32              6.03293              
 -113.33              6.0495               
 -113.34              6.22329              
 -113.35              6.14273              
 -113.36              5.74769              
 -113.37              5.57993              
 -113.38              5.02499              
 -113.39              4.0343               
 -113.4               3.30936              
 -113.41              3.04801              
 -113.42              2.6138               
 -113.43              1.79306              
 -113.44              1.61017              
 -113.45              1.19218              
 -113.46              0.95213              
 -113.47              0.92046              
 -113.48              0.79157              
 -113.49              0.73572              
 -113.5               0.77607              
 -113.51              0.79074              
 -113.52              0.85107              
 -113.53              0.92891              
 -113.54              0.91592              
 -113.55              0.90211              
 -113.56              0.83153              
 -113.57              0.73234              
 -113.58              0.67070              
 -113.59              0.53686              
 -113.6               0.42699              
 -113.61              0.37575              
 -113.62              0.25900              
 -113.63              0.17334              
 -113.64              0.18512              
 -113.65              0.17635              
 -113.66              0.19175              
 -113.67              0.25591              
 -113.68              0.25239              
 -113.69              0.26289              
 -113.7               0.27564              
 -113.71              0.26982              
 -113.72              0.24208              
 -113.73              0.20537              
 -113.74              0.18577              
 -113.75              0.17597              
 -113.76              0.19747              
 -113.77              0.25943              
 -113.78              0.29151              
 -113.79              0.37373              
 -113.8               0.60651              
 -113.81              0.70625              
 -113.82              0.85385              
 -113.83              1.06622              
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##END=
