##TITLE=              29Si MAS NMR spectrum of dealuminated ZSM-5 with p-xylene (2 mol/uc)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Fyfe et al. J. Am. Chem. Soc., 110, 3373-3380 (1988) Figure 3b
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/08/08 15:11:37
##SOURCE REFERENCE=   MFI-29Si-Fyfe-1988-pxy2
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              MFI
##NAMES=              ZSM-5
##NAMES=              Silicalite
##NAMES=              p-xylene
##SAMPLE DESCRIPTION= ZSM-5, p-xylene (2 mol/uc)
##TEMPERATURE=        295 K

$$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 3b

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         12
##$PEAK LABELS=        Si8        Si2        Si4        Si3        Si11       Si12       Si1        Si7        Si6        Si5        Si9        Si1       
##$PEAK TSITES=        T8         T2         T4         T3         T11        T12        T1         T7         T6         T5         T9         T1        
##$PEAK POSITIONS=    -117.68    -116.925   -115.385   -114.912   -113.734   -113.319   -112.915   -112.657   -112.487   -112.444   -111.94    -110.783   
##$PEAK AREAS=         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.         1.        
##$PEAK WIDTHS=        0.15596    0.17924    0.17854    0.14213    0.17885    0.13251    0.1238     0.11257    0.11625    0.11625    0.09454    0.13317   
##$PEAK SHAPES=        0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139    0.77139   
##$NUMBERING REF=     van Koningsveld, Acta Cryst B 46, 731-735 (1990)
##$ASSIGN REF=        Fyfe et al. J. Am. Chem. Soc. 112, 8812-8820 (1990) Figure 4
##$ASSIGN METHOD=     2D correlation NMR
##$COMMENT=           

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 79.6
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     5000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -109.01               
##LASTX=              -118.97               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            997
##FIRSTY=             -0.01176              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -109.01             -0.01176              
 -109.02              0.00216              
 -109.03              0.01043              
 -109.04              0.00707              
 -109.05              0.00446              
 -109.06              0.02528              
 -109.07              0.04967              
 -109.08              0.04943              
 -109.09              0.04123              
 -109.1               0.02163              
 -109.11             -0.00587              
 -109.12             -0.00449              
 -109.13              0.02063              
 -109.14              0.04704              
 -109.15              0.06138              
 -109.16              0.07652              
 -109.17              0.08861              
 -109.18              0.06987              
 -109.19              0.03123              
 -109.2               0.01379              
 -109.21              0.05164              
 -109.22              0.08705              
 -109.23              0.11334              
 -109.24              0.15715              
 -109.25              0.16695              
 -109.26              0.14450              
 -109.27              0.12028              
 -109.28              0.08261              
 -109.29              0.04827              
 -109.3               0.03679              
 -109.31              0.03523              
 -109.32              0.03773              
 -109.33              0.03806              
 -109.34              0.02566              
 -109.35              0.01725              
 -109.36              0.01910              
 -109.37              0.01678              
 -109.38              0.02816              
 -109.39              0.05835              
 -109.4               0.08798              
 -109.41              0.10096              
 -109.42              0.09646              
 -109.43              0.08440              
 -109.44              0.06912              
 -109.45              0.05961              
 -109.46              0.06068              
 -109.47              0.05628              
 -109.48              0.03585              
 -109.49             -0.00292              
 -109.5              -0.05232              
 -109.51             -0.06932              
 -109.52             -0.03809              
 -109.53             -0.00906              
 -109.54              0.01670              
 -109.55              0.04307              
 -109.56              0.05146              
 -109.57              0.03451              
 -109.58              0.00798              
 -109.59              0.00236              
 -109.6               0.01984              
 -109.61              0.04849              
 -109.62              0.06771              
 -109.63              0.05194              
 -109.64              0.02735              
 -109.65              0.02995              
 -109.66              0.01657              
 -109.67             -0.01450              
 -109.68             -0.02957              
 -109.69             -0.00101              
 -109.7               0.04048              
 -109.71              0.06493              
 -109.72              0.09260              
 -109.73              0.11255              
 -109.74              0.10996              
 -109.75              0.08823              
 -109.76              0.05728              
 -109.77              0.03377              
 -109.78              0.03231              
 -109.79              0.03309              
 -109.8               0.03482              
 -109.81              0.05071              
 -109.82              0.04908              
 -109.83              0.03442              
 -109.84              0.03457              
 -109.85              0.03683              
 -109.86              0.03641              
 -109.87              0.03683              
 -109.88              0.03703              
 -109.89              0.03784              
 -109.9               0.03844              
 -109.91              0.03200              
 -109.92              0.00990              
 -109.93             -0.01651              
 -109.94             -0.01231              
 -109.95              0.01240              
 -109.96              0.03871              
 -109.97              0.05741              
 -109.98              0.05527              
 -109.99              0.04083              
 -110.                0.03906              
 -110.01              0.04498              
 -110.02              0.04059              
 -110.03              0.01482              
 -110.04             -0.00842              
 -110.05             -0.01326              
 -110.06              0.00010              
 -110.07              0.01771              
 -110.08              0.02538              
 -110.09              0.02421              
 -110.1               0.03752              
 -110.11              0.04393              
 -110.12              0.02875              
 -110.13              0.02187              
 -110.14              0.03402              
 -110.15              0.04689              
 -110.16              0.02684              
 -110.17             -0.00457              
 -110.18             -0.02838              
 -110.19             -0.04488              
 -110.2              -0.04292              
 -110.21             -0.02604              
 -110.22             -0.01121              
 -110.23             -0.00594              
 -110.24             -0.00769              
 -110.25             -0.00815              
 -110.26             -0.00028              
 -110.27              0.01736              
 -110.28              0.04359              
 -110.29              0.07601              
 -110.3               0.09007              
 -110.31              0.07464              
 -110.32              0.05809              
 -110.33              0.05174              
 -110.34              0.05311              
 -110.35              0.05392              
 -110.36              0.05373              
 -110.37              0.05428              
 -110.38              0.05549              
 -110.39              0.05279              
 -110.4               0.05606              
 -110.41              0.08082              
 -110.42              0.11170              
 -110.43              0.13463              
 -110.44              0.14758              
 -110.45              0.16234              
 -110.46              0.17208              
 -110.47              0.17093              
 -110.48              0.18143              
 -110.49              0.19325              
 -110.5               0.19242              
 -110.51              0.19207              
 -110.52              0.19229              
 -110.53              0.19260              
 -110.54              0.20139              
 -110.55              0.22378              
 -110.56              0.25031              
 -110.57              0.26888              
 -110.58              0.32610              
 -110.59              0.42677              
 -110.6               0.52313              
 -110.61              0.59349              
 -110.62              0.66129              
 -110.63              0.77161              
 -110.64              0.93430              
 -110.65              1.09759              
 -110.66              1.23319              
 -110.67              1.44377              
 -110.68              1.7194               
 -110.69              2.01476              
 -110.7               2.35902              
 -110.71              2.78139              
 -110.72              3.19967              
 -110.73              3.4361               
 -110.74              3.73733              
 -110.75              4.22459              
 -110.76              4.68476              
 -110.77              5.07605              
 -110.78              5.33802              
 -110.79              5.36174              
 -110.8               5.17127              
 -110.81              4.87317              
 -110.82              4.5307               
 -110.83              3.96637              
 -110.84              3.32788              
 -110.85              2.86531              
 -110.86              2.42526              
 -110.87              1.94736              
 -110.88              1.51482              
 -110.89              1.27916              
 -110.9               1.12854              
 -110.91              0.93839              
 -110.92              0.77552              
 -110.93              0.66553              
 -110.94              0.60894              
 -110.95              0.59564              
 -110.96              0.57276              
 -110.97              0.51310              
 -110.98              0.43497              
 -110.99              0.36267              
 -111.                0.30027              
 -111.01              0.24333              
 -111.02              0.22107              
 -111.03              0.23176              
 -111.04              0.24689              
 -111.05              0.24543              
 -111.06              0.22482              
 -111.07              0.19795              
 -111.08              0.18370              
 -111.09              0.16802              
 -111.1               0.14085              
 -111.11              0.12497              
 -111.12              0.11361              
 -111.13              0.10070              
 -111.14              0.09814              
 -111.15              0.10302              
 -111.16              0.11915              
 -111.17              0.15154              
 -111.18              0.15086              
 -111.19              0.11977              
 -111.2               0.10654              
 -111.21              0.09341              
 -111.22              0.08407              
 -111.23              0.09726              
 -111.24              0.11142              
 -111.25              0.09788              
 -111.26              0.05586              
 -111.27              0.04081              
 -111.28              0.05120              
 -111.29              0.06434              
 -111.3               0.08440              
 -111.31              0.12070              
 -111.32              0.16069              
 -111.33              0.16765              
 -111.34              0.16352              
 -111.35              0.16468              
 -111.36              0.16108              
 -111.37              0.17689              
 -111.38              0.20406              
 -111.39              0.20631              
 -111.4               0.20256              
 -111.41              0.18135              
 -111.42              0.12532              
 -111.43              0.10271              
 -111.44              0.11180              
 -111.45              0.11172              
 -111.46              0.10896              
 -111.47              0.08123              
 -111.48              0.02564              
 -111.49              0.00781              
 -111.5               0.02449              
 -111.51              0.06537              
 -111.52              0.15374              
 -111.53              0.23498              
 -111.54              0.26576              
 -111.55              0.25946              
 -111.56              0.23567              
 -111.57              0.21011              
 -111.58              0.19353              
 -111.59              0.19461              
 -111.6               0.19057              
 -111.61              0.15220              
 -111.62              0.11534              
 -111.63              0.09608              
 -111.64              0.09355              
 -111.65              0.12206              
 -111.66              0.16580              
 -111.67              0.20441              
 -111.68              0.24634              
 -111.69              0.27877              
 -111.7               0.29027              
 -111.71              0.29200              
 -111.72              0.29137              
 -111.73              0.30749              
 -111.74              0.37619              
 -111.75              0.51656              
 -111.76              0.67170              
 -111.77              0.73919              
 -111.78              0.75851              
 -111.79              0.79165              
 -111.8               0.87459              
 -111.81              1.00397              
 -111.82              1.15096              
 -111.83              1.31854              
 -111.84              1.61189              
 -111.85              1.92797              
 -111.86              2.15368              
 -111.87              2.4644               
 -111.88              3.01667              
 -111.89              3.82943              
 -111.9               4.73578              
 -111.91              5.59702              
 -111.92              6.37932              
 -111.93              7.1393               
 -111.94              7.74572              
 -111.95              7.7007               
 -111.96              6.58061              
 -111.97              5.79169              
 -111.98              5.36354              
 -111.99              4.04149              
 -112.                2.62683              
 -112.01              1.83675              
 -112.02              1.67248              
 -112.03              1.4576               
 -112.04              1.12513              
 -112.05              0.95479              
 -112.06              0.88991              
 -112.07              0.83848              
 -112.08              0.75818              
 -112.09              0.68340              
 -112.1               0.63353              
 -112.11              0.61080              
 -112.12              0.60719              
 -112.13              0.61291              
 -112.14              0.62816              
 -112.15              0.65777              
 -112.16              0.66911              
 -112.17              0.66882              
 -112.18              0.69562              
 -112.19              0.71276              
 -112.2               0.70665              
 -112.21              0.70246              
 -112.22              0.73039              
 -112.23              0.77113              
 -112.24              0.80515              
 -112.25              0.89262              
 -112.26              1.03013              
 -112.27              1.17485              
 -112.28              1.30739              
 -112.29              1.51353              
 -112.3               1.80766              
 -112.31              2.04328              
 -112.32              2.28291              
 -112.33              2.52518              
 -112.34              2.64608              
 -112.35              2.90773              
 -112.36              3.45349              
 -112.37              4.14317              
 -112.38              4.78343              
 -112.39              5.34661              
 -112.4               6.0236               
 -112.41              7.13263              
 -112.42              8.14407              
 -112.43              8.55384              
 -112.44              9.46696              
 -112.45              10.5421              
 -112.46              11.1048              
 -112.47              11.8082              
 -112.48              11.8042              
 -112.49              10.8081              
 -112.5               10.5011              
 -112.51              9.66119              
 -112.52              7.6241               
 -112.53              6.04559              
 -112.54              5.18172              
 -112.55              4.75726              
 -112.56              4.53691              
 -112.57              4.4674               
 -112.58              4.4875               
 -112.59              4.55404              
 -112.6               4.84979              
 -112.61              5.30365              
 -112.62              5.72241              
 -112.63              6.21463              
 -112.64              6.69676              
 -112.65              7.00388              
 -112.66              7.13881              
 -112.67              7.06023              
 -112.68              6.72795              
 -112.69              6.13251              
 -112.7               5.01875              
 -112.71              3.64292              
 -112.72              2.95962              
 -112.73              2.69561              
 -112.74              2.49996              
 -112.75              2.43368              
 -112.76              2.33667              
 -112.77              2.18794              
 -112.78              2.1327               
 -112.79              2.15343              
 -112.8               2.22109              
 -112.81              2.32417              
 -112.82              2.43819              
 -112.83              2.56934              
 -112.84              2.76332              
 -112.85              3.09345              
 -112.86              3.52694              
 -112.87              3.98828              
 -112.88              4.46466              
 -112.89              5.13064              
 -112.9               5.85597              
 -112.91              6.06281              
 -112.92              6.10495              
 -112.93              6.07691              
 -112.94              5.48894              
 -112.95              4.87469              
 -112.96              4.31484              
 -112.97              3.35958              
 -112.98              2.64575              
 -112.99              2.29147              
 -113.                1.905                
 -113.01              1.64434              
 -113.02              1.51555              
 -113.03              1.37651              
 -113.04              1.19481              
 -113.05              0.99591              
 -113.06              0.83700              
 -113.07              0.77777              
 -113.08              0.77709              
 -113.09              0.77707              
 -113.1               0.77541              
 -113.11              0.78081              
 -113.12              0.79551              
 -113.13              0.81048              
 -113.14              0.81980              
 -113.15              0.83567              
 -113.16              0.88176              
 -113.17              0.95329              
 -113.18              1.07612              
 -113.19              1.28066              
 -113.2               1.50138              
 -113.21              1.72745              
 -113.22              1.98035              
 -113.23              2.22248              
 -113.24              2.47583              
 -113.25              2.80249              
 -113.26              3.24389              
 -113.27              3.73194              
 -113.28              4.17453              
 -113.29              4.54397              
 -113.3               4.87953              
 -113.31              5.19847              
 -113.32              5.44473              
 -113.33              5.5334               
 -113.34              5.38568              
 -113.35              4.97371              
 -113.36              4.4108               
 -113.37              3.67075              
 -113.38              2.76446              
 -113.39              2.36762              
 -113.4               2.25555              
 -113.41              1.79153              
 -113.42              1.48968              
 -113.43              1.37174              
 -113.44              1.16817              
 -113.45              0.99087              
 -113.46              0.91208              
 -113.47              0.89385              
 -113.48              0.81481              
 -113.49              0.73192              
 -113.5               0.71443              
 -113.51              0.72573              
 -113.52              0.73950              
 -113.53              0.75313              
 -113.54              0.77896              
 -113.55              0.80341              
 -113.56              0.83226              
 -113.57              0.89155              
 -113.58              0.97913              
 -113.59              1.09189              
 -113.6               1.23151              
 -113.61              1.39592              
 -113.62              1.53749              
 -113.63              1.64457              
 -113.64              1.84435              
 -113.65              2.05616              
 -113.66              2.24902              
 -113.67              2.6766               
 -113.68              3.08452              
 -113.69              3.29594              
 -113.7               3.58937              
 -113.71              3.79922              
 -113.72              3.87127              
 -113.73              4.04957              
 -113.74              4.1392               
 -113.75              4.01214              
 -113.76              3.75157              
 -113.77              3.38587              
 -113.78              3.01961              
 -113.79              2.75263              
 -113.8               2.42777              
 -113.81              2.0888               
 -113.82              1.87868              
 -113.83              1.7232               
 -113.84              1.56308              
 -113.85              1.36991              
 -113.86              1.13431              
 -113.87              0.99018              
 -113.88              0.96644              
 -113.89              0.84826              
 -113.9               0.74299              
 -113.91              0.73081              
 -113.92              0.68307              
 -113.93              0.58926              
 -113.94              0.50292              
 -113.95              0.46818              
 -113.96              0.40061              
 -113.97              0.30916              
 -113.98              0.28746              
 -113.99              0.31187              
 -114.                0.33423              
 -114.01              0.33229              
 -114.02              0.34531              
 -114.03              0.35012              
 -114.04              0.32066              
 -114.05              0.31583              
 -114.06              0.31028              
 -114.07              0.26840              
 -114.08              0.22360              
 -114.09              0.19523              
 -114.1               0.16997              
 -114.11              0.11564              
 -114.12              0.08304              
 -114.13              0.09015              
 -114.14              0.09166              
 -114.15              0.09256              
 -114.16              0.11181              
 -114.17              0.16042              
 -114.18              0.22449              
 -114.19              0.26540              
 -114.2               0.25407              
 -114.21              0.23000              
 -114.22              0.20071              
 -114.23              0.16017              
 -114.24              0.13688              
 -114.25              0.13222              
 -114.26              0.13292              
 -114.27              0.13293              
 -114.28              0.13460              
 -114.29              0.13495              
 -114.3               0.12248              
 -114.31              0.11432              
 -114.32              0.11613              
 -114.33              0.10810              
 -114.34              0.08413              
 -114.35              0.05978              
 -114.36              0.05795              
 -114.37              0.06265              
 -114.38              0.06050              
 -114.39              0.05709              
 -114.4               0.08115              
 -114.41              0.12691              
 -114.42              0.16743              
 -114.43              0.19417              
 -114.44              0.22433              
 -114.45              0.25419              
 -114.46              0.22330              
 -114.47              0.15821              
 -114.48              0.10803              
 -114.49              0.08411              
 -114.5               0.09011              
 -114.51              0.12001              
 -114.52              0.15864              
 -114.53              0.19876              
 -114.54              0.23782              
 -114.55              0.27042              
 -114.56              0.27259              
 -114.57              0.25724              
 -114.58              0.25787              
 -114.59              0.25564              
 -114.6               0.26196              
 -114.61              0.30082              
 -114.62              0.34891              
 -114.63              0.37721              
 -114.64              0.37613              
 -114.65              0.37228              
 -114.66              0.37773              
 -114.67              0.39177              
 -114.68              0.41127              
 -114.69              0.45157              
 -114.7               0.50561              
 -114.71              0.53988              
 -114.72              0.60253              
 -114.73              0.69905              
 -114.74              0.76963              
 -114.75              0.82515              
 -114.76              0.89677              
 -114.77              1.01479              
 -114.78              1.20137              
 -114.79              1.41242              
 -114.8               1.59075              
 -114.81              1.78794              
 -114.82              2.11861              
 -114.83              2.55845              
 -114.84              2.77636              
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##END=
