##TITLE=              29Si MAS NMR spectrum of pure silica calcined ITQ-4
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Camblor et al. Chem. Commun., 749-750 (1997) Figure 2a
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/06/20 11:49:08
##SOURCE REFERENCE=   IFR-29Si-Camblor-1997
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              IFR
##NAMES=              ITQ-4
##SAMPLE DESCRIPTION= ITQ-4, pure silica, calcined

$$Bibliographic information 
##$AUTHORS=           Camblor, M.A., Corma, A., Villaescusa, L.A.
##$TITLE=             ITQ-4: a new large pore microporous polymorph of silica
##$JOURNAL=           Chemical Communications
##$VOLUME=            
##$PAGES=             749-750
##$YEAR=              1997
##$DOI=               10.1039/a700672a
##$FIGURE=            Figure 2a

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         4
##$PEAK TSITES=        T2         T3         T4         T1        
##$PEAK LABELS=        Si2        Si1        Si3        Si4       
##$PEAK POSITIONS=    -112.457   -110.811   -109.677   -107.942   
##$PEAK AREAS=         1.         1.         1.         1.        
##$PEAK WIDTHS=        0.28343    0.58991    0.49008    0.49286   
##$PEAK SHAPES=        1          1          1          1         
##$NUMBERING REF=     Villaescusa et al. J. Am. Chem. Soc. 123, 5453-5459 (2001)
##$ASSIGN REF=        Brouwer et al. J. Am. Chem. Soc. 127, 10365-10370 (2005) Figure 3
##$ASSIGN METHOD=     2D correlation NMR

$$Spectrum acquisition information 
##.OBSERVE NUCLEUS=   ^29Si
##.OBSERVE FREQUENCY= 79.4586
##.PULSE SEQUENCE=    single pulse
##.MAS FREQUENCY=     5000

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -100.                 
##LASTX=              -115.92               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            797
##FIRSTY=              0.00917              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -100.                0.00917              
 -100.02              0.01796              
 -100.04              0.01678              
 -100.06              0.02239              
 -100.08              0.02187              
 -100.1               0.02176              
 -100.12              0.02191              
 -100.14              0.01669              
 -100.16              0.01711              
 -100.18              0.01174              
 -100.2               0.01023              
 -100.22              0.00849              
 -100.24              0.00810              
 -100.26              0.01198              
 -100.28              0.01185              
 -100.3               0.02042              
 -100.32              0.02130              
 -100.34              0.02610              
 -100.36              0.03004              
 -100.38              0.03133              
 -100.4               0.03087              
 -100.42              0.03610              
 -100.44              0.03592              
 -100.46              0.03603              
 -100.48              0.03603              
 -100.5               0.03603              
 -100.52              0.03607              
 -100.54              0.03627              
 -100.56              0.03222              
 -100.58              0.03147              
 -100.6               0.03122              
 -100.62              0.02965              
 -100.64              0.02647              
 -100.66              0.02448              
 -100.68              0.02188              
 -100.7               0.02183              
 -100.72              0.02185              
 -100.74              0.02426              
 -100.76              0.03154              
 -100.78              0.03125              
 -100.8               0.03131              
 -100.82              0.03133              
 -100.84              0.03139              
 -100.86              0.03093              
 -100.88              0.03663              
 -100.9               0.03572              
 -100.92              0.04136              
 -100.94              0.04060              
 -100.96              0.04581              
 -100.98              0.04540              
 -101.                0.04021              
 -101.02              0.04050              
 -101.04              0.03251              
 -101.06              0.03095              
 -101.08              0.02272              
 -101.1               0.02109              
 -101.12              0.01547              
 -101.14              0.00962              
 -101.16              0.01022              
 -101.18              0.01160              
 -101.2               0.01887              
 -101.22              0.03050              
 -101.24              0.03596              
 -101.26              0.03908              
 -101.28              0.03366              
 -101.3               0.02562              
 -101.32              0.00773              
 -101.34             -0.01254              
 -101.36             -0.02309              
 -101.38             -0.04545              
 -101.4              -0.04402              
 -101.42             -0.03756              
 -101.44             -0.03553              
 -101.46             -0.03268              
 -101.48             -0.02514              
 -101.5              -0.01638              
 -101.52             -0.00602              
 -101.54             -0.00403              
 -101.56              0.00117              
 -101.58              0.00291              
 -101.6               0.00583              
 -101.62              0.01018              
 -101.64              0.01016              
 -101.66              0.01062              
 -101.68              0.01213              
 -101.7               0.01768              
 -101.72              0.01713              
 -101.74              0.01716              
 -101.76              0.01719              
 -101.78              0.01761              
 -101.8               0.01253              
 -101.82              0.01271              
 -101.84              0.01262              
 -101.86              0.01772              
 -101.88              0.01762              
 -101.9               0.02238              
 -101.92              0.02271              
 -101.94              0.02642              
 -101.96              0.03193              
 -101.98              0.02942              
 -102.                0.02534              
 -102.02              0.01740              
 -102.04              0.01429              
 -102.06              0.01036              
 -102.08              0.00056              
 -102.1              -0.00882              
 -102.12             -0.00882              
 -102.14             -0.02094              
 -102.16             -0.01998              
 -102.18             -0.02618              
 -102.2              -0.02995              
 -102.22             -0.03253              
 -102.24             -0.03255              
 -102.26             -0.02523              
 -102.28             -0.02035              
 -102.3              -0.01517              
 -102.32             -0.01165              
 -102.34              0.00065              
 -102.36              0.01675              
 -102.38              0.02962              
 -102.4               0.03144              
 -102.42              0.03661              
 -102.44              0.03647              
 -102.46              0.04110              
 -102.48              0.04079              
 -102.5               0.04061              
 -102.52              0.03969              
 -102.54              0.03583              
 -102.56              0.03597              
 -102.58              0.03612              
 -102.6               0.03782              
 -102.62              0.04085              
 -102.64              0.04285              
 -102.66              0.04543              
 -102.68              0.04086              
 -102.7               0.03589              
 -102.72              0.03310              
 -102.74              0.03118              
 -102.76              0.02745              
 -102.78              0.02062              
 -102.8               0.01695              
 -102.82              0.01683              
 -102.84              0.02135              
 -102.86              0.02343              
 -102.88              0.02652              
 -102.9               0.03384              
 -102.92              0.03606              
 -102.94              0.03657              
 -102.96              0.03124              
 -102.98              0.02865              
 -103.                0.02668              
 -103.02              0.02655              
 -103.04              0.02647              
 -103.06              0.02966              
 -103.08              0.03635              
 -103.1               0.03610              
 -103.12              0.03743              
 -103.14              0.04087              
 -103.16              0.04067              
 -103.18              0.04094              
 -103.2               0.03594              
 -103.22              0.03130              
 -103.24              0.02092              
 -103.26              0.01687              
 -103.28              0.01010              
 -103.3               0.00201              
 -103.32             -0.00329              
 -103.34             -0.00657              
 -103.36             -0.00629              
 -103.38             -0.00571              
 -103.4              -0.00430              
 -103.42              0.00161              
 -103.44              0.00743              
 -103.46              0.00873              
 -103.48              0.02170              
 -103.5               0.02167              
 -103.52              0.02188              
 -103.54              0.02193              
 -103.56              0.02199              
 -103.58              0.01862              
 -103.6               0.01668              
 -103.62              0.01039              
 -103.64              0.01013              
 -103.66              0.01010              
 -103.68              0.01010              
 -103.7               0.01010              
 -103.72              0.01010              
 -103.74              0.01010              
 -103.76              0.01010              
 -103.78              0.01010              
 -103.8               0.01010              
 -103.82              0.01010              
 -103.84              0.01012              
 -103.86              0.01016              
 -103.88              0.00935              
 -103.9               0.01781              
 -103.92              0.01707              
 -103.94              0.01716              
 -103.96              0.01720              
 -103.98              0.01744              
 -104.                0.01312              
 -104.02              0.00743              
 -104.04              0.00769              
 -104.06              0.00320              
 -104.08             -0.00152              
 -104.1               0.00303              
 -104.12              0.00838              
 -104.14              0.01265              
 -104.16              0.01214              
 -104.18              0.01945              
 -104.2               0.02160              
 -104.22              0.02223              
 -104.24              0.01530              
 -104.26              0.01243              
 -104.28              0.00808              
 -104.3               0.00533              
 -104.32              0.00544              
 -104.34              0.00538              
 -104.36              0.01383              
 -104.38              0.02196              
 -104.4               0.02423              
 -104.42              0.03155              
 -104.44              0.03124              
 -104.46              0.03125              
 -104.48              0.03182              
 -104.5               0.02641              
 -104.52              0.02264              
 -104.54              0.02194              
 -104.56              0.02216              
 -104.58              0.01678              
 -104.6               0.01706              
 -104.62              0.02234              
 -104.64              0.02187              
 -104.66              0.02473              
 -104.68              0.02688              
 -104.7               0.03172              
 -104.72              0.03135              
 -104.74              0.03131              
 -104.76              0.03132              
 -104.78              0.03132              
 -104.8               0.03132              
 -104.82              0.03132              
 -104.84              0.03132              
 -104.86              0.03132              
 -104.88              0.03132              
 -104.9               0.03132              
 -104.92              0.03136              
 -104.94              0.02857              
 -104.96              0.02141              
 -104.98              0.02211              
 -105.                0.01535              
 -105.02              0.01275              
 -105.04              0.01084              
 -105.06              0.00761              
 -105.08              0.00755              
 -105.1               0.01013              
 -105.12              0.01239              
 -105.14              0.01626              
 -105.16              0.02188              
 -105.18              0.02958              
 -105.2               0.03139              
 -105.22              0.03599              
 -105.24              0.04101              
 -105.26              0.04058              
 -105.28              0.04045              
 -105.3               0.02872              
 -105.32              0.02605              
 -105.34              0.01707              
 -105.36              0.00259              
 -105.38             -0.00516              
 -105.4              -0.00647              
 -105.42             -0.01522              
 -105.44             -0.02072              
 -105.46             -0.02058              
 -105.48             -0.01610              
 -105.5              -0.00853              
 -105.52             -0.00742              
 -105.54             -0.00621              
 -105.56             -0.00385              
 -105.58             -0.00404              
 -105.6              -0.00381              
 -105.62             -0.00666              
 -105.64             -0.00616              
 -105.66             -0.00899              
 -105.68             -0.00875              
 -105.7              -0.00917              
 -105.72             -0.00418              
 -105.74             -0.00294              
 -105.76             -0.00164              
 -105.78              0.00698              
 -105.8               0.01497              
 -105.82              0.01482              
 -105.84              0.01512              
 -105.86              0.00796              
 -105.88              0.00567              
 -105.9               0.00394              
 -105.92             -0.00175              
 -105.94             -0.00593              
 -105.96             -0.00364              
 -105.98             -0.00403              
 -106.                0.00294              
 -106.02              0.00765              
 -106.04              0.01628              
 -106.06              0.03945              
 -106.08              0.05406              
 -106.1               0.06751              
 -106.12              0.07475              
 -106.14              0.07564              
 -106.16              0.07367              
 -106.18              0.07401              
 -106.2               0.06977              
 -106.22              0.06863              
 -106.24              0.06442              
 -106.26              0.06286              
 -106.28              0.05512              
 -106.3               0.05307              
 -106.32              0.04539              
 -106.34              0.04613              
 -106.36              0.04052              
 -106.38              0.04122              
 -106.4               0.03510              
 -106.42              0.03109              
 -106.44              0.03129              
 -106.46              0.03132              
 -106.48              0.03134              
 -106.5               0.03121              
 -106.52              0.02957              
 -106.54              0.02676              
 -106.56              0.02139              
 -106.58              0.02188              
 -106.6               0.01948              
 -106.62              0.01722              
 -106.64              0.01660              
 -106.66              0.02205              
 -106.68              0.02514              
 -106.7               0.02723              
 -106.72              0.03162              
 -106.74              0.03135              
 -106.76              0.03131              
 -106.78              0.03132              
 -106.8               0.03132              
 -106.82              0.03136              
 -106.84              0.03126              
 -106.86              0.03516              
 -106.88              0.03607              
 -106.9               0.04064              
 -106.92              0.04554              
 -106.94              0.05141              
 -106.96              0.05847              
 -106.98              0.06599              
 -107.                0.08324              
 -107.02              0.08446              
 -107.04              0.09872              
 -107.06              0.11648              
 -107.08              0.11984              
 -107.1               0.12304              
 -107.12              0.13225              
 -107.14              0.13262              
 -107.16              0.13830              
 -107.18              0.14695              
 -107.2               0.15126              
 -107.22              0.15495              
 -107.24              0.17153              
 -107.26              0.18012              
 -107.28              0.18606              
 -107.3               0.19621              
 -107.32              0.20434              
 -107.34              0.20853              
 -107.36              0.21480              
 -107.38              0.22497              
 -107.4               0.23545              
 -107.42              0.25059              
 -107.44              0.26242              
 -107.46              0.28834              
 -107.48              0.29586              
 -107.5               0.30113              
 -107.52              0.35055              
 -107.54              0.37594              
 -107.56              0.38802              
 -107.58              0.41168              
 -107.6               0.46395              
 -107.62              0.50293              
 -107.64              0.54734              
 -107.66              0.60315              
 -107.68              0.62861              
 -107.7               0.65697              
 -107.72              0.77341              
 -107.74              0.83151              
 -107.76              0.84554              
 -107.78              0.94389              
 -107.8               0.96739              
 -107.82              1.07068              
 -107.84              1.10112              
 -107.86              1.14809              
 -107.88              1.19111              
 -107.9               1.24573              
 -107.92              1.26768              
 -107.94              1.32592              
 -107.96              1.32332              
 -107.98              1.33106              
 -108.                1.24293              
 -108.02              1.21411              
 -108.04              1.19143              
 -108.06              1.07793              
 -108.08              1.05746              
 -108.1               0.93451              
 -108.12              0.87019              
 -108.14              0.80950              
 -108.16              0.78110              
 -108.18              0.70303              
 -108.2               0.66753              
 -108.22              0.60400              
 -108.24              0.57362              
 -108.26              0.53183              
 -108.28              0.50943              
 -108.3               0.46924              
 -108.32              0.44899              
 -108.34              0.41664              
 -108.36              0.39770              
 -108.38              0.36552              
 -108.4               0.31216              
 -108.42              0.30424              
 -108.44              0.30152              
 -108.46              0.27468              
 -108.48              0.26957              
 -108.5               0.26777              
 -108.52              0.25305              
 -108.54              0.24266              
 -108.56              0.23173              
 -108.58              0.19782              
 -108.6               0.17461              
 -108.62              0.15901              
 -108.64              0.14801              
 -108.66              0.12923              
 -108.68              0.13541              
 -108.7               0.13499              
 -108.72              0.13504              
 -108.74              0.13505              
 -108.76              0.13504              
 -108.78              0.13507              
 -108.8               0.13559              
 -108.82              0.13034              
 -108.84              0.13548              
 -108.86              0.13751              
 -108.88              0.14693              
 -108.9               0.15005              
 -108.92              0.16088              
 -108.94              0.17483              
 -108.96              0.18790              
 -108.98              0.18985              
 -109.                0.20835              
 -109.02              0.21158              
 -109.04              0.21505              
 -109.06              0.22094              
 -109.08              0.22675              
 -109.1               0.22791              
 -109.12              0.25522              
 -109.14              0.26487              
 -109.16              0.28532              
 -109.18              0.31603              
 -109.2               0.34615              
 -109.22              0.36543              
 -109.24              0.40822              
 -109.26              0.41953              
 -109.28              0.45449              
 -109.3               0.47235              
 -109.32              0.50659              
 -109.34              0.56341              
 -109.36              0.59377              
 -109.38              0.61520              
 -109.4               0.69774              
 -109.42              0.71315              
 -109.44              0.80569              
 -109.46              0.87323              
 -109.48              0.90088              
 -109.5               0.92295              
 -109.52              1.01867              
 -109.54              1.12106              
 -109.56              1.16036              
 -109.58              1.2154               
 -109.6               1.26903              
 -109.62              1.27869              
 -109.64              1.33132              
 -109.66              1.37414              
 -109.68              1.38206              
 -109.7               1.38371              
 -109.72              1.35127              
 -109.74              1.3129               
 -109.76              1.28909              
 -109.78              1.2175               
 -109.8               1.16625              
 -109.82              1.04995              
 -109.84              1.01074              
 -109.86              0.96554              
 -109.88              0.88075              
 -109.9               0.84498              
 -109.92              0.77500              
 -109.94              0.69663              
 -109.96              0.68349              
 -109.98              0.66992              
 -110.                0.62104              
 -110.02              0.57578              
 -110.04              0.56342              
 -110.06              0.53305              
 -110.08              0.52298              
 -110.1               0.51728              
 -110.12              0.50712              
 -110.14              0.50480              
 -110.16              0.50384              
 -110.18              0.49272              
 -110.2               0.48921              
 -110.22              0.48348              
 -110.24              0.48399              
 -110.26              0.47922              
 -110.28              0.47430              
 -110.3               0.47773              
 -110.32              0.47992              
 -110.34              0.49310              
 -110.36              0.49606              
 -110.38              0.52213              
 -110.4               0.54546              
 -110.42              0.56516              
 -110.44              0.57227              
 -110.46              0.60807              
 -110.48              0.62426              
 -110.5               0.67111              
 -110.52              0.70449              
 -110.54              0.74601              
 -110.56              0.76333              
 -110.58              0.82268              
 -110.6               0.85748              
 -110.62              0.89512              
 -110.64              0.92154              
 -110.66              0.99340              
 -110.68              1.0117               
 -110.7               1.05889              
 -110.72              1.08166              
 -110.74              1.11009              
 -110.76              1.12814              
 -110.78              1.13445              
 -110.8               1.1346               
 -110.82              1.1342               
 -110.84              1.13407              
 -110.86              1.10381              
 -110.88              1.07303              
 -110.9               1.05227              
 -110.92              1.04126              
 -110.94              0.99387              
 -110.96              0.95118              
 -110.98              0.91030              
 -111.                0.86700              
 -111.02              0.81871              
 -111.04              0.80363              
 -111.06              0.7453               
 -111.08              0.69159              
 -111.1               0.66004              
 -111.12              0.62514              
 -111.14              0.57309              
 -111.16              0.53127              
 -111.18              0.51546              
 -111.2               0.48377              
 -111.22              0.44861              
 -111.24              0.43326              
 -111.26              0.41146              
 -111.28              0.38249              
 -111.3               0.37752              
 -111.32              0.37050              
 -111.34              0.36075              
 -111.36              0.32853              
 -111.38              0.32461              
 -111.4               0.29733              
 -111.42              0.29413              
 -111.44              0.27851              
 -111.46              0.25834              
 -111.48              0.23477              
 -111.5               0.23061              
 -111.52              0.21717              
 -111.54              0.21257              
 -111.56              0.20025              
 -111.58              0.20115              
 -111.6               0.20188              
 -111.62              0.19202              
 -111.64              0.19189              
 -111.66              0.19163              
 -111.68              0.19113              
 -111.7               0.19655              
 -111.72              0.19616              
 -111.74              0.19600              
 -111.76              0.18603              
 -111.78              0.18332              
 -111.8               0.17742              
 -111.82              0.17098              
 -111.84              0.16792              
 -111.86              0.16782              
 -111.88              0.17029              
 -111.9               0.17201              
 -111.92              0.18188              
 -111.94              0.19370              
 -111.96              0.20598              
 -111.98              0.21448              
 -112.                0.23266              
 -112.02              0.24611              
 -112.04              0.26531              
 -112.06              0.28811              
 -112.08              0.29761              
 -112.1               0.35780              
 -112.12              0.38661              
 -112.14              0.39517              
 -112.16              0.47858              
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##END=
