##TITLE=T1 experiment ##JCAMPDX= 6.0 $$ Bruker NMR JCAMP-DX V2.0 ##DATA TYPE= NMR FID ##DATA CLASS= NTUPLES ##ORIGIN= UXNMR, Bruker Analytische Messtechnik GmbH ##OWNER= root $$ TOPSPIN Version 1.3 $$ 2008-06-24 10:53:05.346 -0700 Kasie@GROUPPC04 $$ Compression mode = diff/dup ##.OBSERVE FREQUENCY= 599.92282029 ##.OBSERVE NUCLEUS= ^1H ##.DELAY= (99.2143, 99.2143) ##.ACQUISITION MODE= SIMULTANEOUS ##.ACQUISITION SCHEME= States-TPPI ##.AVERAGES= 8 ##.DIGITISER RES= 16 ##SPECTROMETER/DATA SYSTEM= spect ##.PULSE SEQUENCE= t1ir1d ##.SOLVENT NAME= D2O ##.SHIFT REFERENCE= INTERNAL, D2O, 1, 10.81098 ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, WHAT) $$ ##TITLE= Audit trail, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.01 $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= albert $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/1/audita.txt $$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT) ( 1,<2008-05-17 10:10:41.448 -0400>,,,, ) $$ ##END= $$ $$ $$ hash MD5 $$ $$ 7A AB FD D6 B6 90 32 55 5E 1D 07 AA 71 AE 46 39 ##$RELAX= ##$BRUKER FILE EXP=format.temp $$ EDIT_PAR COMMAND FILE $$ $$ DI_MODE LONG $$ ED_ENTRY ACQU $$ ORDER FILE $$ $$ $$ HEADER "F2 - Acquisition Parameters" $$ T_NAME Date_ $$ TYPE R64 $$ CLASS ACQU $$ SUBRANGE 0.0 50000000 $$ REL "Date_=itodate(DATE)" $$ INV_REL "DATE=datetoi(Date_,DATE)" $$ FORMAT "%14.0f" $$ TEXT " " $$ END $$ T_NAME Time $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000000 $$ REL "Time=itotime(DATE)" $$ INV_REL "DATE=timetoi(Time,DATE)" $$ FORMAT "%14.2f" $$ TEXT " " $$ END $$ NAME INSTRUM $$ TEXT " " $$ END $$ NAME PROBHD $$ FORMAT "%14.14s" $$ TEXT " " $$ END $$ NAME PULPROG $$ TEXT " " $$ END $$ NAME TD $$ TEXT " " $$ END $$ NAME SOLVENT $$ TEXT " " $$ END $$ NAME NS $$ TEXT " " $$ END $$ NAME DS $$ TEXT " " $$ END $$ T_NAME SWH $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e8 $$ REL "SWH=SW*SFO1" $$ INV_REL "SW=SWH/SFO1" $$ UNIT "Hz" $$ FORMAT "%14.3f Hz" $$ TEXT " " $$ END $$ T_NAME FIDRES $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 100000 $$ REL "FIDRES=SW*SFO1/TD" $$ INV_REL "TD = nextpow(SW*SFO1/FIDRES)" $$ UNIT "Hz" $$ FORMAT "%14.6f Hz" $$ TEXT " " $$ END $$ T_NAME AQ $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000 $$ REL "AQ=aqcalc(SW,SFO1,TD,DIGTYP)" $$ INV_REL "TD=tdcalc(SW,SFO1,1.0e6*AQ,DIGTYP)" $$ UNIT "sec" $$ FORMAT "%14.7f sec" $$ TEXT " " $$ END $$ NAME RG $$ TEXT " " $$ END $$ T_NAME DW $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000000 $$ REL "DW=1/(2*SW*SFO1)" $$ INV_REL "SW=1000000/(2*(0.005+DW)*SFO1)" $$ UNIT "usec" $$ FORMAT "%14.3lf usec" $$ TEXT " " $$ END $$ NAME DE $$ FORMAT "%14.2f usec" $$ TEXT " " $$ END $$ NAME TE $$ FORMAT "%14.1f K" $$ TEXT " " $$ END $$ T_NAME D1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e38 $$ REL "D1=D[1]" $$ INV_REL "D[1]=D1" $$ UNIT "sec" $$ FORMAT "%14.8f sec" $$ TEXT " " $$ END $$ T_NAME D7 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e38 $$ REL "D7=D[7]" $$ INV_REL "D[7]=D7" $$ UNIT "sec" $$ FORMAT "%14.8f sec" $$ TEXT " " $$ END $$ NAME TD0 $$ TEXT " " $$ END $$ HEADER "======== CHANNEL f1 ========" $$ NAME NUC1 $$ NONEDIT $$ TEXT " " $$ END $$ T_NAME P1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1.0e10 $$ REL "P1=P[1]" $$ INV_REL "P[1]=P1" $$ UNIT "usec" $$ FORMAT "%14.2f usec" $$ TEXT " " $$ END $$ T_NAME p2 $$ TYPE R32 $$ SUBRANGE -1e38 1e38 $$ CLASS ACQU $$ REL "p2=p1*2" $$ INV_REL "D[0]=p2" $$ UNIT "usec" $$ TEXT " " $$ FORMAT "%14.2f usec" $$ NONEDIT $$ END $$ T_NAME PL1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE -6.0 1e38 $$ REL "PL1=PL[1]" $$ INV_REL "PL[1]=PL1" $$ UNIT "dB" $$ FORMAT "%14.2f dB" $$ TEXT " " $$ END $$ NAME SFO1 $$ FORMAT "%14.7f MHz" $$ TEXT " " $$ END ##$RELAX= ##$BRUKER FILE EXP=scon $$ ##TITLE= Parameter file, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.0 $$ ##DATATYPE= Parameter Values $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= albert $$ $$ 2008-05-17 10:03:11.829 -0400 albert@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/1/scon $$ ##$BLKPA= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$BLKTR= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$DE1= 2 $$ ##$DE2= 2 $$ ##$DEADC= 4 $$ ##$DEPA= 2 $$ ##$DERX= 3 $$ ##$PHASP4= (0..15) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 $$ ##$PHASPR= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$SHAPPR= (0..15) 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 $$ ##END= ##$RELAX= ##$BRUKER FILE EXP=pulseprogram $$ # 1 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ ;t1ir1d $$ ;avance-version (04/12/21) $$ ;T1 measurement using inversion recovery $$ ; $$ ;$CLASS=HighRes $$ ;$DIM=1D $$ ;$TYPE= $$ ;$SUBTYPE= $$ ;$COMMENT= $$ $$ $$ # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1 $$ ;Avance2.incl $$ ; for 1 $$ ; $$ ;avance-version (06/02/20) $$ ; $$ ;$CLASS=HighRes Incl $$ ;$COMMENT= $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ ;$Id: Avance2.incl,v 1.10.6.5 2006/03/10 18:08:31 ber Exp $ $$ # 12 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" 2 $$ $$ $$ $$ "p2=p1*2" $$ $$ $$ # 1 "mc_line 18 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding definition part of mc command before ze" $$ define delay MCWRK $$ define delay MCREST $$ "MCWRK = 0.500000*30m" $$ "MCREST = 30m - 30m" $$ # 18 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ 1 ze $$ # 1 "mc_line 18 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding definition of mc command after ze" $$ # 19 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ # 1 "mc_line 19 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding start label for mc command" $$ 2 MCWRK * 2 $$ LBLF0, MCREST $$ # 20 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ d1 $$ p2 ph1 $$ d7 $$ p1 ph2 $$ go=2 ph31 $$ # 1 "mc_line 25 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding mc command in line" $$ MCWRK wr #0 $$ MCWRK zd $$ lo to LBLF0 times td0 $$ $$ # 26 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ exit $$ $$ $$ ph1=0 2 $$ ph2=0 0 2 2 1 1 3 3 $$ ph31=0 0 2 2 1 1 3 3 $$ $$ $$ ;pl1 : f1 channel - power level for pulse (default) $$ ;p1 : f1 channel - 90 degree high power pulse $$ ;p2 : f1 channel - 180 degree high power pulse $$ ;d1 :relaxation delay; 1-5 * T1 $$ ;d7 : delay for inversion recovery $$ ;NS :8 * n, total number of scans: NS * TD0 $$ ;DS :4 $$ $$ $$ $$ ;$Id: t1ir1d,v 1.7.10.2 2005/11/10 13:18:59 ber Exp $ ##$RELAX= ##$BRUKER FILE EXP=uxnmr.par $$ ##TITLE= Parameter file, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.0 $$ ##DATATYPE= Parameter Values $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= nmrsu $$ $$ 2008-03-26 07:58:33.240 -0500 nmrsu@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/conf/instr/spect/uxnmr.par $$ ##$ACB= 0 $$ ##$ACBTAT= (0..15) 0 88 72 88 50 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTBA= (0..15) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTCTL= (0..15) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTDI= (0..15) 0 102 102 104 73 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTDM= (0..15) 0 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTFHI= (0..15) 0 600 600 243 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTFL= (0..15) 0 73 74 73 8 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTFLO= (0..15) 0 20 20 6 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTOUT= (0..15) 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTPO= (0..15) 0 150000 60000 300000 20000 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTPW= (0..15) 0 10 10 100 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTSB= (0..15) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTY= $$ ##$AQSBDHW= (0..31) 255 255 1 2 2 2 0 255 0 0 255 255 255 255 255 255 255 255 255 0 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSBDID= (0..31) 255 255 88 83 83 83 65 255 65 67 255 255 255 255 255 255 255 255 255 66 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSBDNO= (0..31) 255 255 1 1 2 3 2 255 1 1 255 255 255 255 255 255 255 255 255 1 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSBDTY= (0..31) 255 255 3 24 24 24 6 255 196 9 255 255 255 255 255 255 255 255 255 7 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSBUAD= (0..31) 255 255 52 36 37 38 55 255 54 26 255 255 255 255 255 255 255 255 255 32 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSECL= (0..31) 255 255 2 0 0 0 0 255 0 2 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$AQSECLS= (0..31) 255 255 0 1 1 1 0 255 0 0 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 $$ ##$ATT19F= (0..1) 0 0 $$ ##$ATT1H= (0..1) 0 0 $$ ##$ATT3H= (0..1) 0 0 $$ ##$ATTX= (0..1) 0 0 $$ ##$ATTY= (0..1) 0 0 $$ ##$ATTZ= (0..1) 0 0 $$ ##$BACSAIR= no $$ ##$BACSCAP= 0 $$ ##$BACSDEL= 10 $$ ##$BACSFCM= no $$ ##$BACSOPT= <> $$ ##$BACSTY= $$ ##$BARPTY= $$ ##$BFREQ= 599.92 $$ ##$BIRDS= yes $$ ##$BMPC= 0 $$ ##$BMPCTY= $$ ##$BPSUTY= $$ ##$BSMS= 1 $$ ##$BSMSTY= $$ ##$CFASMOD= (0..7) 1 1 1 1 1 1 1 1 $$ ##$CFASMUL= (0..7) 1 1 1 1 1 1 1 1 $$ 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0 0 0 0 0 0 0 0 0 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 150 ##$SP07= 0 ##$SPECTR= 0 ##$SPNAM0= ##$SPNAM1= ##$SPNAM10= ##$SPNAM11= ##$SPNAM12= ##$SPNAM13= ##$SPNAM14= ##$SPNAM15= ##$SPNAM16= ##$SPNAM17= ##$SPNAM18= ##$SPNAM19= ##$SPNAM2= ##$SPNAM20= ##$SPNAM21= ##$SPNAM22= ##$SPNAM23= ##$SPNAM24= ##$SPNAM25= ##$SPNAM26= ##$SPNAM27= ##$SPNAM28= ##$SPNAM29= ##$SPNAM3= ##$SPNAM30= ##$SPNAM31= ##$SPNAM4= ##$SPNAM5= ##$SPNAM6= ##$SPNAM7= ##$SPNAM8= ##$SPNAM9= ##$SPOAL= (0..31) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$SPOFFS= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$SUBNAM0= <""> ##$SUBNAM1= <""> ##$SUBNAM2= <""> ##$SUBNAM3= <""> ##$SUBNAM4= <""> ##$SUBNAM5= <""> ##$SUBNAM6= <""> ##$SUBNAM7= <""> ##$SUBNAM8= <""> ##$SUBNAM9= <""> ##$SW= 12.0005837460828 ##$SWIBOX= (0..15) 0 1 2 3 4 0 0 0 0 0 0 0 0 0 0 0 ##$SW_h= 7199.42404607631 ##$TD= 28794 ##$TD0= 1 ##$TE= 298 ##$TE2= 300 ##$TE3= 300 ##$TEG= 300 ##$TL= (0..7) 0 120 120 120 120 120 120 120 ##$TP= (0..7) 150 150 150 150 150 150 150 150 ##$TP07= 0 ##$TPNAME0= ##$TPNAME1= ##$TPNAME2= ##$TPNAME3= ##$TPNAME4= ##$TPNAME5= ##$TPNAME6= ##$TPNAME7= ##$TPOAL= (0..7) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$TPOFFS= (0..7) 0 0 0 0 0 0 0 0 ##$TUNHIN= 0 ##$TUNHOUT= 0 ##$TUNXOUT= 0 ##$USERA1= ##$USERA2= ##$USERA3= ##$USERA4= ##$USERA5= ##$V9= 5 ##$VALIST= ##$VCLIST= ##$VD= 0 ##$VDLIST= ##$VPLIST= ##$VTLIST= ##$WBST= 1024 ##$WBSW= 40 ##$XGAIN= (0..3) 0 0 0 0 ##$XL= 0 ##$YL= 0 ##$YMAX_a= 51506 ##$YMIN_a= -93793 ##$ZGOPTNS= <> ##$ZL1= 120 ##$ZL2= 120 ##$ZL3= 120 ##$ZL4= 120 ##$ABSF1= 1000 ##$ABSF2= -1000 ##$ABSG= 5 ##$ABSL= 3 ##$ALPHA= 0 ##$AQORDER= 0 ##$ASSFAC= 0 ##$ASSFACI= 0 ##$ASSFACX= 0 ##$ASSWID= 0 ##$AUNMP= ##$AXLEFT= 0 ##$AXRIGHT= 0 ##$AXTYPE= 0 ##$AXUNIT= <> ##$AZFE= 0.1 ##$AZFW= 0.5 ##$BCFW= 1 ##$BC_mod= 0 ##$BYTORDP= 0 ##$COROFFS= 0 ##$CY= 100 ##$DATMOD= 1 ##$DC= 2 ##$DFILT= <> ##$DTYPP= 0 ##$F1P= 3.51603733374925 ##$F2P= 3.25078754924928 ##$FCOR= 0.5 ##$FTSIZE= 131072 ##$FT_mod= 0 ##$GAMMA= 0 ##$GB= 0 ##$INTBC= 1 ##$INTSCL= 1 ##$ISEN= 128 ##$LB= 2 ##$LEV0= 35 ##$LPBIN= 0 ##$MAXI= -0.4532506 ##$MC2= 0 ##$MEAN= 0 ##$ME_mod= 0 ##$MI= 50 ##$NCOEF= 0 ##$NC_proc= 0 ##$NLEV= 6 ##$NOISF1= 0.15 ##$NOISF2= 0.1 ##$NSP= 1 ##$NTH_PI= 0 ##$NZP= 0 ##$OFFSET= 10.81098 ##$PC= 4 ##$PHC0= 100.6 ##$PHC1= 0 ##$PH_mod= 1 ##$PKNL= yes ##$PPARMOD= 0 ##$PPDIAG= 0 ##$PPIPTYP= 0 ##$PPMPNUM= 100 ##$PPRESOL= 1 ##$PSCAL= 0 ##$PSIGN= 0 ##$REVERSE= no ##$SF= 599.919934279348 ##$SI= 131072 ##$SIGF1= 0.04 ##$SIGF2= -0.02 ##$SINO= 16 ##$SIOLD= 131072 ##$SREGLST= ##$SSB= 0 ##$STSI= 0 ##$STSR= 0 ##$SW_p= 7199.42404607633 ##$SYMM= 0 ##$S_DEV= 0 ##$TDeff= 0 ##$TDoff= 0 ##$TI= <> ##$TILT= no ##$TM1= 0 ##$TM2= 0 ##$TOPLEV= 100 ##$USERP1= ##$USERP2= ##$USERP3= ##$USERP4= ##$USERP5= ##$WDW= 1 ##$XDIM= 8192 ##$YMAX_p= 0 ##$YMIN_p= 0 $$ End of Bruker specific parameters $$ --------------------------------- ##NTUPLES= NMR FID ##VAR_NAME= TIME, FID/REAL, FID/IMAG ##SYMBOL= X, R, I ##VAR_TYPE= INDEPENDENT, DEPENDENT, DEPENDENT ##VAR_FORM= AFFN, ASDF, ASDF ##VAR_DIM= 14397, 14397, 14397 ##UNITS= SECONDS, ARBITRARY UNITS, ARBITRARY UNITS ##FACTOR= 0.0001389, 1, 1 ##FIRST= 0, -73859, -72275 ##LAST= 1.9996044, 0, 0 ##MIN= 0, -93793, -93793 ##MAX= 1.9996044, 51506, 51506 $$ Real data points ##PAGE= N=1 ##DATA TABLE= (X++(R..R)), XYDATA 0g3859L3993q011p913J1191K778k9465k2507M3636M4594j8844m9678j0292M5358 13c9019K1271j4291n514M558j800j8986J1405L9969K944l3426k8570J9944L3953 26g562l682j5290j0667k09j359k841J6785L436j6017j7326l060J9324N911n028 40c7585p885j1726L741P461J0272q69j3705M119O388J995j425K910J4795o938 54b8452j2376Q178J6939N384k1177q43K4130K731j8977j3132K4325J8099k4227 67a9398j7320J1247J9394j3532k3418J9095J8287j9088l2071Q246M2540l726l7685 80d7429j0037K4926J6313k3049m188K5233P55k7087j2606L9751L0075k9008l0774 93d7125R310L5310L732k0106P592R976j0204j6911J3550L6485p319l5487j3037 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