##TITLE=              29Si MAS NMR spectrum of calcined pure silica ITQ-1 (MCM-22)
##JCAMP-DX=           5.01
##DATA TYPE=          NMR SPECTRUM
##DATA CLASS=         XYDATA
##ORIGIN=             Camblor et al. The Journal of Physical Chemistry B, 102, 44-51 (1998) Figure 9a
##OWNER=              Digitized and processed by Brouwer Lab, Redeemer University College
##LONG DATE=          2019/08/08 15:20:22
##SOURCE REFERENCE=   MWW-29Si-Camblor-1998
##DATA PROCESSING=    Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

$$Sample information 
##NAMES=              MWW
##NAMES=              ITQ-1
##NAMES=              MCM-22
##SAMPLE DESCRIPTION= ITQ-1, pure silica, calcined

$$Bibliographic information 
##$AUTHORS=           Camblor, M.A., Corma, A., Diaz-Cabanas, M., Baerlocher, C.
##$TITLE=             Synthesis and Structural Characterization of MWW Type Zeolite ITQ-1, the Pure Silica Analog of MCM-22 and SSZ-25
##$JOURNAL=           The Journal of Physical Chemistry B
##$VOLUME=            102
##$PAGES=             44-51
##$YEAR=              1998
##$DOI=               10.1021/jp972319k
##$FIGURE=            Figure 9a

$$Peak information    (Positions in ppm, Relative peak areas, Peak widths in ppm, Lorentzian/Gaussian shape parameter)
##$NUM PEAKS=         7
##$PEAK LABELS=        A          B          C          E          F          G          H         
##$PEAK TSITES=       
##$PEAK POSITIONS=    -120.388   -116.576   -113.953   -112.7     -111.97    -111.356   -106.025   
##$PEAK AREAS=         4.07493    3.91109    3.92102    1.47218    1.         3.13849    3.11582   
##$PEAK WIDTHS=        1.20081    1.06183    0.97679    0.90368    0.5887     0.98396    0.88425   
##$PEAK SHAPES=        0.70782    0.82218    0.71677    0.36215    0.36215    0.36215    0.60721   
##$NUMBERING REF=     
##$ASSIGN REF=        
##$ASSIGN METHOD=     
##$COMMENT=           It was not possible to satisfactorily fit the spectrum with a model containing the 8 Si sites expected from the crystal structure

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

$$Spectrum data information 
##XUNITS=             PPM
##YUNITS=             ARBITRARY UNITS
##FIRSTX=             -86.01                
##LASTX=              -129.87               
##XFACTOR=            1
##YFACTOR=            1
##NPOINTS=            1463
##FIRSTY=             -0.03863              

$$Spectrum data
##XYDATA=             (X++(Y..Y))
 -86.01              -0.03863              
 -86.04              -0.02334              
 -86.07              -0.02099              
 -86.1               -0.01881              
 -86.13              -0.00630              
 -86.16              -0.00256              
 -86.19               0.00275              
 -86.22               0.01838              
 -86.25               0.03314              
 -86.28               0.03305              
 -86.31               0.02320              
 -86.34               0.02069              
 -86.37               0.01484              
 -86.4                0.00652              
 -86.43               0.00417              
 -86.46              -0.00134              
 -86.49              -0.01138              
 -86.52              -0.01763              
 -86.55              -0.00900              
 -86.58               0.00120              
 -86.61               0.00595              
 -86.64               0.02266              
 -86.67               0.04427              
 -86.7                0.05960              
 -86.73               0.06635              
 -86.76               0.06979              
 -86.79               0.07218              
 -86.82               0.07062              
 -86.85               0.06181              
 -86.88               0.05595              
 -86.91               0.05818              
 -86.94               0.04071              
 -86.97               0.02041              
 -87.                 0.01927              
 -87.03               0.01709              
 -87.06               0.01582              
 -87.09               0.02246              
 -87.12               0.03345              
 -87.15               0.04411              
 -87.18               0.05180              
 -87.21               0.05589              
 -87.24               0.05419              
 -87.27               0.05192              
 -87.3                0.05365              
 -87.33               0.04292              
 -87.36               0.03060              
 -87.39               0.03194              
 -87.42               0.02518              
 -87.45               0.01944              
 -87.48               0.02635              
 -87.51               0.03011              
 -87.54               0.03333              
 -87.57               0.03588              
 -87.6                0.02621              
 -87.63               0.01480              
 -87.66               0.01130              
 -87.69               0.01439              
 -87.72               0.01481              
 -87.75               0.01602              
 -87.78               0.02527              
 -87.81               0.02802              
 -87.84               0.02819              
 -87.87               0.02978              
 -87.9                0.01094              
 -87.93              -0.00868              
 -87.96              -0.00944              
 -87.99              -0.00839              
 -88.02              -0.01961              
 -88.05              -0.03687              
 -88.08              -0.03870              
 -88.11              -0.03763              
 -88.14              -0.03711              
 -88.17              -0.02815              
 -88.2               -0.02425              
 -88.23              -0.02503              
 -88.26              -0.02181              
 -88.29              -0.02188              
 -88.32              -0.02651              
 -88.35              -0.03219              
 -88.38              -0.03712              
 -88.41              -0.04439              
 -88.44              -0.05297              
 -88.47              -0.05444              
 -88.5               -0.05331              
 -88.53              -0.05357              
 -88.56              -0.05346              
 -88.59              -0.05402              
 -88.62              -0.05336              
 -88.65              -0.04810              
 -88.68              -0.04123              
 -88.71              -0.03699              
 -88.74              -0.03709              
 -88.77              -0.03811              
 -88.8               -0.04379              
 -88.83              -0.05293              
 -88.86              -0.05037              
 -88.89              -0.04357              
 -88.92              -0.04150              
 -88.95              -0.03989              
 -88.98              -0.03375              
 -89.01              -0.02516              
 -89.04              -0.02158              
 -89.07              -0.02063              
 -89.1               -0.01629              
 -89.13              -0.00690              
 -89.16              -0.00534              
 -89.19              -0.00965              
 -89.22              -0.01208              
 -89.25              -0.01737              
 -89.28              -0.02187              
 -89.31              -0.02141              
 -89.34              -0.02019              
 -89.37              -0.02289              
 -89.4               -0.02892              
 -89.43              -0.03237              
 -89.46              -0.03415              
 -89.49              -0.03753              
 -89.52              -0.04368              
 -89.55              -0.04597              
 -89.58              -0.04557              
 -89.61              -0.04834              
 -89.64              -0.05167              
 -89.67              -0.05400              
 -89.7               -0.05419              
 -89.73              -0.04957              
 -89.76              -0.04395              
 -89.79              -0.03850              
 -89.82              -0.02646              
 -89.85              -0.01026              
 -89.88               0.00286              
 -89.91               0.00814              
 -89.94               0.01707              
 -89.97               0.02785              
 -90.                 0.02816              
 -90.03               0.02781              
 -90.06               0.02690              
 -90.09               0.02072              
 -90.12               0.01894              
 -90.15               0.01900              
 -90.18               0.01582              
 -90.21               0.01433              
 -90.24               0.00775              
 -90.27              -0.00409              
 -90.3               -0.00739              
 -90.33              -0.01246              
 -90.36              -0.02109              
 -90.39              -0.02227              
 -90.42              -0.03381              
 -90.45              -0.05030              
 -90.48              -0.04885              
 -90.51              -0.03916              
 -90.54              -0.03274              
 -90.57              -0.03303              
 -90.6               -0.03313              
 -90.63              -0.03390              
 -90.66              -0.03700              
 -90.69              -0.03753              
 -90.72              -0.03764              
 -90.75              -0.03757              
 -90.78              -0.03240              
 -90.81              -0.02741              
 -90.84              -0.02516              
 -90.87              -0.02246              
 -90.9               -0.01924              
 -90.93              -0.01175              
 -90.96               0.00085              
 -90.99               0.00264              
 -91.02               0.00530              
 -91.05               0.02096              
 -91.08               0.02315              
 -91.11               0.01894              
 -91.14               0.01971              
 -91.17               0.01423              
 -91.2                0.01155              
 -91.23               0.01525              
 -91.26               0.01467              
 -91.29               0.01875              
 -91.32               0.03226              
 -91.35               0.04787              
 -91.38               0.05353              
 -91.41               0.05715              
 -91.44               0.06985              
 -91.47               0.06973              
 -91.5                0.05653              
 -91.53               0.04494              
 -91.56               0.04293              
 -91.59               0.03489              
 -91.62               0.01679              
 -91.65               0.01253              
 -91.68               0.00729              
 -91.71              -0.00472              
 -91.74              -0.00615              
 -91.77              -0.00437              
 -91.8               -0.00498              
 -91.83              -0.00529              
 -91.86              -0.00419              
 -91.89              -0.01146              
 -91.92              -0.03016              
 -91.95              -0.03289              
 -91.98              -0.03684              
 -92.01              -0.05852              
 -92.04              -0.06602              
 -92.07              -0.06679              
 -92.1               -0.06997              
 -92.13              -0.06278              
 -92.16              -0.05512              
 -92.19              -0.05357              
 -92.22              -0.05190              
 -92.25              -0.04479              
 -92.28              -0.03692              
 -92.31              -0.03664              
 -92.34              -0.03814              
 -92.37              -0.03678              
 -92.4               -0.03131              
 -92.43              -0.02257              
 -92.46              -0.01570              
 -92.49              -0.01334              
 -92.52              -0.01082              
 -92.55              -0.00794              
 -92.58              -0.00515              
 -92.61              -0.00170              
 -92.64              -0.00108              
 -92.67               0.00352              
 -92.7                0.02158              
 -92.73               0.02934              
 -92.76               0.02771              
 -92.79               0.03377              
 -92.82               0.03656              
 -92.85               0.03551              
 -92.88               0.03574              
 -92.91               0.03456              
 -92.94               0.03757              
 -92.97               0.04667              
 -93.                 0.05256              
 -93.03               0.05923              
 -93.06               0.06778              
 -93.09               0.07124              
 -93.12               0.07341              
 -93.15               0.07628              
 -93.18               0.07698              
 -93.21               0.07351              
 -93.24               0.06702              
 -93.27               0.06107              
 -93.3                0.05903              
 -93.33               0.06046              
 -93.36               0.06077              
 -93.39               0.05350              
 -93.42               0.04596              
 -93.45               0.04388              
 -93.48               0.04165              
 -93.51               0.03791              
 -93.54               0.03561              
 -93.57               0.03826              
 -93.6                0.04040              
 -93.63               0.04439              
 -93.66               0.05607              
 -93.69               0.06337              
 -93.72               0.06391              
 -93.75               0.06371              
 -93.78               0.06524              
 -93.81               0.06210              
 -93.84               0.05292              
 -93.87               0.05035              
 -93.9                0.04361              
 -93.93               0.02853              
 -93.96               0.02125              
 -93.99               0.01732              
 -94.02               0.01121              
 -94.05               0.00351              
 -94.08              -0.00746              
 -94.11              -0.01790              
 -94.14              -0.02317              
 -94.17              -0.03034              
 -94.2               -0.03252              
 -94.23              -0.02322              
 -94.26              -0.01842              
 -94.29              -0.01581              
 -94.32              -0.01263              
 -94.35              -0.02026              
 -94.38              -0.02588              
 -94.41              -0.02503              
 -94.44              -0.03261              
 -94.47              -0.04005              
 -94.5               -0.03699              
 -94.53              -0.02444              
 -94.56              -0.02134              
 -94.59              -0.01990              
 -94.62              -0.00245              
 -94.65               0.01090              
 -94.68               0.01648              
 -94.71               0.02445              
 -94.74               0.04160              
 -94.77               0.05404              
 -94.8                0.05546              
 -94.83               0.06286              
 -94.86               0.07023              
 -94.89               0.06828              
 -94.92               0.05859              
 -94.95               0.05676              
 -94.98               0.05514              
 -95.01               0.03477              
 -95.04               0.02223              
 -95.07               0.01831              
 -95.1                0.00898              
 -95.13               0.00756              
 -95.16               0.01246              
 -95.19               0.01514              
 -95.22               0.01611              
 -95.25               0.02309              
 -95.28               0.03486              
 -95.31               0.03692              
 -95.34               0.03504              
 -95.37               0.03561              
 -95.4                0.03654              
 -95.43               0.03272              
 -95.46               0.02722              
 -95.49               0.02708              
 -95.52               0.02772              
 -95.55               0.02748              
 -95.58               0.02753              
 -95.61               0.02732              
 -95.64               0.02780              
 -95.67               0.02794              
 -95.7                0.02308              
 -95.73               0.01790              
 -95.76               0.01553              
 -95.79               0.01252              
 -95.82               0.01089              
 -95.85               0.01130              
 -95.88               0.01143              
 -95.91               0.01101              
 -95.94               0.01146              
 -95.97               0.01234              
 -96.                 0.00612              
 -96.03              -0.00212              
 -96.06              -0.00461              
 -96.09              -0.00596              
 -96.12              -0.00326              
 -96.15               0.00283              
 -96.18               0.00207              
 -96.21               0.00719              
 -96.24               0.02275              
 -96.27               0.03349              
 -96.3                0.03581              
 -96.33               0.03573              
 -96.36               0.04114              
 -96.39               0.04648              
 -96.42               0.04767              
 -96.45               0.04498              
 -96.48               0.04093              
 -96.51               0.04000              
 -96.54               0.04321              
 -96.57               0.04397              
 -96.6                0.04397              
 -96.63               0.04403              
 -96.66               0.03797              
 -96.69               0.02573              
 -96.72               0.01543              
 -96.75               0.01466              
 -96.78               0.00138              
 -96.81              -0.01784              
 -96.84              -0.01775              
 -96.87              -0.01969              
 -96.9               -0.01981              
 -96.93              -0.00472              
 -96.96               0.00402              
 -96.99               0.00940              
 -97.02               0.02121              
 -97.05               0.03145              
 -97.08               0.03720              
 -97.11               0.03954              
 -97.14               0.04130              
 -97.17               0.04706              
 -97.2                0.05182              
 -97.23               0.04457              
 -97.26               0.03438              
 -97.29               0.02680              
 -97.32               0.01905              
 -97.35               0.00690              
 -97.38              -0.00145              
 -97.41              -0.00041              
 -97.44              -0.00666              
 -97.47              -0.01436              
 -97.5               -0.01356              
 -97.53              -0.01019              
 -97.56              -0.00891              
 -97.59              -0.00906              
 -97.62              -0.00626              
 -97.65              -0.00462              
 -97.68              -0.00490              
 -97.71              -0.00416              
 -97.74              -0.00799              
 -97.77              -0.01342              
 -97.8               -0.01340              
 -97.83              -0.01287              
 -97.86              -0.01297              
 -97.89              -0.01042              
 -97.92              -0.00192              
 -97.95               0.00404              
 -97.98               0.00622              
 -98.01               0.01935              
 -98.04               0.03058              
 -98.07               0.03158              
 -98.1                0.03263              
 -98.13               0.04114              
 -98.16               0.05229              
 -98.19               0.05555              
 -98.22               0.05699              
 -98.25               0.06064              
 -98.28               0.06615              
 -98.31               0.07168              
 -98.34               0.06381              
 -98.37               0.04235              
 -98.4                0.03880              
 -98.43               0.03699              
 -98.46               0.02433              
 -98.49               0.02066              
 -98.52               0.00515              
 -98.55              -0.02097              
 -98.58              -0.02451              
 -98.61              -0.01709              
 -98.64              -0.01294              
 -98.67              -0.01190              
 -98.7                0.00152              
 -98.73               0.01695              
 -98.76               0.01881              
 -98.79               0.02424              
 -98.82               0.02672              
 -98.85               0.01995              
 -98.88               0.02249              
 -98.91               0.02999              
 -98.94               0.03520              
 -98.97               0.04094              
 -99.                 0.04555              
 -99.03               0.04780              
 -99.06               0.04972              
 -99.09               0.05640              
 -99.12               0.06467              
 -99.15               0.06580              
 -99.18               0.05788              
 -99.21               0.05146              
 -99.24               0.05257              
 -99.27               0.04423              
 -99.3                0.03306              
 -99.33               0.02822              
 -99.36               0.02222              
 -99.39               0.01886              
 -99.42               0.01942              
 -99.45               0.01715              
 -99.48               0.01393              
 -99.51               0.01561              
 -99.54               0.02616              
 -99.57               0.03891              
 -99.6                0.04894              
 -99.63               0.05491              
 -99.66               0.05661              
 -99.69               0.05549              
 -99.72               0.05275              
 -99.75               0.04695              
 -99.78               0.03472              
 -99.81               0.02044              
 -99.84               0.01794              
 -99.87               0.01986              
 -99.9                0.01941              
 -99.93               0.01937              
 -99.96               0.01925              
 -99.99               0.01947              
 -100.02              0.02025              
 -100.05              0.01585              
 -100.08              0.01100              
 -100.11              0.01377              
 -100.14              0.01944              
 -100.17              0.02472              
 -100.2               0.03016              
 -100.23              0.03807              
 -100.26              0.03765              
 -100.29              0.02810              
 -100.32              0.02588              
 -100.35              0.01786              
 -100.38              0.00317              
 -100.41             -0.00051              
 -100.44             -0.00258              
 -100.47             -0.00484              
 -100.5               0.00017              
 -100.53              0.00906              
 -100.56              0.01639              
 -100.59              0.02140              
 -100.62              0.03195              
 -100.65              0.04153              
 -100.68              0.04639              
 -100.71              0.05827              
 -100.74              0.06421              
 -100.77              0.05656              
 -100.8               0.04756              
 -100.83              0.04072              
 -100.86              0.03548              
 -100.89              0.03168              
 -100.92              0.03355              
 -100.95              0.04065              
 -100.98              0.04899              
 -101.01              0.05725              
 -101.04              0.05947              
 -101.07              0.05326              
 -101.1               0.04920              
 -101.13              0.04684              
 -101.16              0.04390              
 -101.19              0.04396              
 -101.22              0.04255              
 -101.25              0.03968              
 -101.28              0.04100              
 -101.31              0.03477              
 -101.34              0.02301              
 -101.37              0.01978              
 -101.4               0.01762              
 -101.43              0.00961              
 -101.46             -0.00245              
 -101.49             -0.00647              
 -101.52             -0.00448              
 -101.55             -0.00453              
 -101.58             -0.00730              
 -101.61             -0.00928              
 -101.64             -0.00898              
 -101.67             -0.00933              
 -101.7              -0.00791              
 -101.73             -0.00495              
 -101.76             -0.00461              
 -101.79             -0.00510              
 -101.82             -0.00488              
 -101.85             -0.00463              
 -101.88             -0.00621              
 -101.91             -0.00965              
 -101.94             -0.01275              
 -101.97             -0.01250              
 -102.               -0.01422              
 -102.03             -0.02039              
 -102.06             -0.02168              
 -102.09             -0.02135              
 -102.12             -0.02137              
 -102.15             -0.01600              
 -102.18             -0.01188              
 -102.21             -0.01306              
 -102.24             -0.01471              
 -102.27             -0.00749              
 -102.3               0.00412              
 -102.33              0.00772              
 -102.36              0.00538              
 -102.39              0.00935              
 -102.42              0.02449              
 -102.45              0.03119              
 -102.48              0.03213              
 -102.51              0.03527              
 -102.54              0.03600              
 -102.57              0.03550              
 -102.6               0.03561              
 -102.63              0.03560              
 -102.66              0.03569              
 -102.69              0.03559              
 -102.72              0.03514              
 -102.75              0.03736              
 -102.78              0.03973              
 -102.81              0.03915              
 -102.84              0.04318              
 -102.87              0.04859              
 -102.9               0.05089              
 -102.93              0.05768              
 -102.96              0.06672              
 -102.99              0.07190              
 -103.02              0.07156              
 -103.05              0.07426              
 -103.08              0.08013              
 -103.11              0.07956              
 -103.14              0.08391              
 -103.17              0.09275              
 -103.2               0.09517              
 -103.23              0.10089              
 -103.26              0.10981              
 -103.29              0.11531              
 -103.32              0.12002              
 -103.35              0.11973              
 -103.38              0.11080              
 -103.41              0.10016              
 -103.44              0.09623              
 -103.47              0.09356              
 -103.5               0.07400              
 -103.53              0.06120              
 -103.56              0.06398              
 -103.59              0.06373              
 -103.62              0.06640              
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##END=
