##TITLE=T1 experiment (3s) ##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 $$ 2008-06-24 10:53:52.783 -0700 Kasie@GROUPPC04 $$ 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 $$ ##OWNER= albert $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/4/audita.txt $$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT) ( 1,<2008-05-17 10:34:57.916 -0400>,,,, ) $$ ##END= $$ $$ $$ hash MD5 $$ $$ BC D2 5F E3 EF 74 53 E9 60 07 D8 5C 44 FB 29 9A ##$RELAX= ##$BRUKER FILE EXP=format.temp $$ 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 10:26:52.319 -0400 albert@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/4/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 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##$AUNM= ##$AUTOPOS= <> ##$BF1= 599.92 ##$BF2= 599.92 ##$BF3= 599.92 ##$BF4= 600.13 ##$BF5= 500.13 ##$BF6= 500.13 ##$BF7= 500.13 ##$BF8= 500.13 ##$BYTORDA= 1 ##$CFDGTYP= 2 ##$CFRGTYP= 5 ##$CHEMSTR= ##$CNST= (0..63) 1 1 145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ##$CPDPRG= <> ##$CPDPRG1= <> ##$CPDPRG2= <> ##$CPDPRG3= <> ##$CPDPRG4= <> ##$CPDPRG5= ##$CPDPRG6= ##$CPDPRG7= ##$CPDPRG8= ##$CPDPRGB= <> ##$CPDPRGT= <> ##$D= (0..63) 3e-006 35 0 0 0 0 0 3 0 0.08 0 0.03 2e-005 3e-006 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$DATE= 1211034897 ##$DBL= (0..7) 120 120 120 120 120 120 120 120 ##$DBP= (0..7) 150 150 150 150 150 150 150 150 ##$DBP07= 0 ##$DBPNAM0= ##$DBPNAM1= ##$DBPNAM2= ##$DBPNAM3= ##$DBPNAM4= ##$DBPNAM5= ##$DBPNAM6= ##$DBPNAM7= ##$DBPOAL= (0..7) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$DBPOFFS= (0..7) 0 0 0 0 0 0 0 0 ##$DE= 99.21429 ##$DECBNUC= 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##$GPNAM22= ##$GPNAM23= ##$GPNAM24= ##$GPNAM25= ##$GPNAM26= ##$GPNAM27= ##$GPNAM28= ##$GPNAM29= ##$GPNAM3= ##$GPNAM30= ##$GPNAM31= ##$GPNAM4= ##$GPNAM5= ##$GPNAM6= ##$GPNAM7= ##$GPNAM8= ##$GPNAM9= ##$GPX= (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 ##$GPY= (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 ##$GPZ= (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 ##$GRDPROG= <> ##$GRPDLY= -1 ##$HDDUTY= 20 ##$HDRATE= 20 ##$HGAIN= (0..3) 0 0 0 0 ##$HL1= 512 ##$HL2= 55 ##$HL3= 17 ##$HL4= 83 ##$HOLDER= 0 ##$HPMOD= (0..7) 0 0 0 0 0 0 0 0 ##$HPPRGN= 0 ##$IN= (0..31) 0.0001632 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 ##$INP= (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 ##$INSTRUM= ##$L= (0..31) 1 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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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= 29094 ##$YMIN_a= -48772 ##$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= 160.1916 ##$PHC1= -206.7276 ##$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 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