##TITLE=1H ikalashn
DE-75k3 TFA
20.12.2024
##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
$$ 2024-12-20 14:05:23.093 +0400  Irina@DPX200
$$ Compression mode = diff/dup
##.OBSERVE FREQUENCY= 200.131300845
##.OBSERVE NUCLEUS= ^1H
##.DELAY= (6, 6)
##.ACQUISITION MODE= SIMULTANEOUS
##.ACQUISITION SCHEME= undefined
##.AVERAGES= 64
##.DIGITISER RES= 18
##SPECTROMETER/DATA SYSTEM= spect
##.PULSE SEQUENCE= zg
##.SOLVENT NAME= CDCl3
##.SHIFT REFERENCE= INTERNAL, CDCl3, 1, 17.49637
##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, WHAT)
$$ ##TITLE= Audit trail, TOPSPIN		Version 1.3
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= Irina
$$ $$ F:/spectra/data/iren/nmr/1H/4/audita.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT)
(   1,<2024-12-20 14:04:49.312 +0400>,<Irina>,<DPX200>,<TOPSPIN 1.3>,
      <created by zg
	started at 2024-12-20 14:00:36.390 +0400,
	POWCHK disabled, PULCHK disabled
       configuration hash MD5:
       BE 6D 3F 07 2A EA 11 49 91 17 2B D3 AF B3 58 0D
       data hash MD5: 16K
       BA 51 79 C9 7C 92 7A BC ED 05 6C FA 47 3F 8D 50>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ 7B 85 BD 31 2E 40 9A 7B 66 14 82 64 FD C3 62 D7
##$RELAX= 
##$BRUKER FILE EXP=format.temp
$$ 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
$$ NAME		TD0
$$ 		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
$$ T_NAME		PL1
$$ 		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
$$ ##OWNER= anp
$$ $$ 2024-12-20 14:00:36.359 +0400  Irina@DPX200
$$ $$ F:/spectra/data/iren/nmr/1H/4/scon
$$ ##$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=prosol_History
$$ #*******************************************************************
$$ #
$$ # $Source: /sc/CvsTree/sc/gen/src/prg/scripts/tix/prosol/lib/lists/default,v $
$$ #
$$ # Copyright (c) 1999
$$ # BRUKER ANALYTIK GMBH
$$ # D-76287 Rheinstetten, Germany
$$ #
$$ # All Rights Reserved
$$ #
$$ #
$$ # $Id: default,v 1.11.6.4 2006/06/09 10:27:10 ber Exp $
$$ #
$$ #*******************************************************************
$$ #../conf/instr/spect/prosol/relations/default
$$ #avance-version (05/10/24)
$$ #
$$ #pulses
$$ #
$$ P[0]=P90[F1];				#  90 deg pulse F1
$$ P[1]=P90[F1];				#  90 deg pulse F1
$$ P[2]=P90[F1]*2;				# 180 deg pulse F1
$$ P[3]=P90[F2];				#  90 deg pulse F2
$$ P[4]=P90[F2]*2;				# 180 deg pulse F2
$$ P[5]=PTOC[F1]*0.66;			#  60 deg pulse F1, TOCSY 
$$ P[6]=PTOC[F1];				#  90 deg pulse F1, TOCSY
$$ P[7]=PTOC[F1]*2;			# 180 deg pulse F1, TOCSY
$$ P[8]=PSH3[F1];                          #  90 deg selective F1, WET
$$ P[9]=PTOC[F2];				#  90 deg pulse F2, TOCSY
$$ P[10]=PTOC[F2]*2;			# 180 deg pulse F2, TOCSY
$$ P[11]=PSH1[F1];				#  90 deg selective F1
$$ P[12]=PSH2[F1];				# 180 deg selective F1
$$ #
$$ P[14]=PSH3[F2];				# 180 deg inversion, adiabatic
$$ P[15]=TROE[F1];				# cw pulse F1, ROESY
$$ P[18]=PSH7[F1];				# off-resonance presat F1
$$ P[21]=P90[F3];				#  90 deg pulse F3
$$ P[22]=P90[F3]*2;			# 180 deg pulse F3
$$ P[23]=P90[F4];				#  90 deg pulse F4
$$ P[24]=PSH2[F2];				# 180 deg refocussing, adiabatic
$$ P[25]=PROE[F1]*2;			# 180 deg pulse, Shaka ROESY
$$ P[27]=P90[F1];				#  90 deg pulse F1, WATERGATE
$$ #
$$ P[29]=PSH8[F1];                         # flip back pulse
$$ P[31]=PSH15[F2];                        # 180 deg adiabatic, F2, 13C x-filter
$$ P[32]=PSH16[F1];                        # 180 deg adiabatic, F1, z-spoil
$$ #P[33]=PSH[F1];                         #  90 deg, F1, hadamard
$$ #P[34]=PSH[F1];                         # 180 deg, F1, hadamard
$$ #P[35]=PSH[F2];                         #  90 deg, F2, hadamard
$$ #P[36]=PSH[F2];                         # 180 deg, F2, hadamard
$$ #P[37]=PSH[F3];                         #  90 deg, F3, hadamard
$$ #P[38]=PSH[F3];                         # 180 deg, F3, hadamard
$$ #
$$ P[63]=PSH11[F2];                        # 180 deg adiabatic decoupling, F2, 13C
$$ #
$$ #decoupling pulses
$$ #
$$ PCPD[1]=PCPDP[F1];			# 90 deg pulse F1, dec.
$$ PCPD[2]=PCPDP[F2];			# 90 deg pulse F2, dec.
$$ PCPD[3]=PCPDP[F3];			# 90 deg pulse F3, dec.
$$ #
$$ #power levels
$$ #
$$ PL[1]=PL90[F1];				# high power, F1
$$ PL[2]=PL90[F2];				# high power, F2
$$ PL[3]=PL90[F3];				# high power, F3
$$ PL[4]=PL90[F4];				# high power, F4
$$ PL[9]=PLCW[F1];				# presat power, F1
$$ PL[10]=PLTOC[F1];			# TOCSY power, F1
$$ PL[11]=PLROE[F1];			# ROESY power, F1
$$ PL[12]=PLCPDP[F2];			# dec. power, F2
$$ PL[13]=PLCPD2[F2];			# dec. power 2, F2
$$ PL[14]=PLNOE[F2];			# low power cw, F2
$$ PL[15]=PLTOC[F2];			# TOCSY power, F2
$$ PL[16]=PLCPDP[F3];			# dec. power, F3
$$ PL[18]=PL90[F1];			# WATERGATE power, F1
$$ PL[19]=PLCPDP[F1];			# dec. power, F1
$$ PL[21]=PLCW[F2];			# 
$$ PL[23]=PLTOC[F3];			# TOCSY power, F3
$$ PL[24]=PLHD[F2];			# HD decoupling, F2
$$ PL[25]=PLSH8U[F2];			# Eretic, F2
$$ PL[27]=PLROE[F1];			# Shaka Spinlock
$$ PL[30]=PLCPDP[F2];			# dec. power, F2, 13C (=pl12)
$$ PL[31]=PLUSER2[F2];			# dec. power, F2, 13C, cw bilev
$$ #
$$ #shapes
$$ #
$$ SP[1]=PLSH1[F1];			#  90 deg selective F1
$$ SP[2]=PLSH2[F1];			# 180 deg selective F1
$$ SP[3]=PLSH3[F2];			# adiabatic 180 deg, F2, inversion
$$ SP[6]=PLSH7[F1];			# off-resonance presat F1
$$ SP[7]=PLSH2[F2];			# adiabatic 180 deg, F2, refocussing
$$ SP[11]=PLSH8[F1];                       # flip-back pulse, F1, H
$$ SP[14]=PLSH12[F2];			# adiab. bilev dec., F2, 13C
$$ SP[18]=PLSH15[F2];                      # adiabatic 180 deg, F2, 13C, x-filter
$$ SP[19]=PLSH3[F1] +0.87;                 #  90 deg, F1, wet
$$ SP[20]=PLSH3[F1] -1.04;                 #  90 deg, F1, wet
$$ SP[21]=PLSH3[F1] +2.27;                 #  90 deg, F1, wet
$$ SP[22]=PLSH3[F1] -5.05;                 #  90 deg, F1, wet
$$ #SP[23]=PLSH[F1];                       #  90 deg, F1, hadamard
$$ #SP[24]=PLSH[F1];                       # 180 deg, F1, hadamard
$$ #SP[25]=PLSH[F2];                       #  90 deg, F2, hadamard
$$ #SP[26]=PLSH[F2];                       # 180 deg, F2, hadamard
$$ #SP[27]=PLSH[F3];                       #  90 deg, F3, hadamard
$$ #SP[28]=PLSH[F3];                       # 180 deg, F3, hadamard
$$ SP[29]=PLSH16[F1];                      # adiabatic 180 deg, F1, z-spoil
$$ SP[31]=PLSH11[F2];			# adiab. dec., F2, 13C
$$ #
$$ SPNAM1=PNSH1[F1];			#
$$ SPNAM2=PNSH2[F1];			#
$$ SPNAM3=PNSH3[F2];			#
$$ SPNAM6=PNSH7[F1];			#
$$ SPNAM7=PNSH2[F2];			#
$$ SPNAM11=PNSH8[F1];                      #
$$ SPNAM14=PNSH12[F2];			#
$$ SPNAM15=PNSH8U[F2];			# Eretic, F2
$$ SPNAM18=PNSH15[F2];			#
$$ SPNAM19=PNSH3[F1];			#
$$ SPNAM20=PNSH3[F1];			#
$$ SPNAM21=PNSH3[F1];			#
$$ SPNAM22=PNSH3[F1];			#
$$ #SPNAM23=PNSH[];                        #
$$ #SPNAM24=PNSH[];                        #
$$ #SPNAM25=PNSH[];                        #
$$ #SPNAM26=PNSH[];                        #
$$ #SPNAM27=PNSH[];                        #
$$ #SPNAM28=PNSH[];                        #
$$ SPNAM29=PNSH16[F1];                     #
$$ SPNAM31=PNSH11[F2];			#
$$ #
$$ SPOAL[1]=PASH1[F1];			#
$$ SPOAL[2]=PASH2[F1];			#
$$ SPOAL[3]=PASH3[F2];			#
$$ SPOAL[6]=PASH7[F1];			#
$$ SPOAL[7]=PASH2[F2];			#
$$ SPOAL[11]=PASH8[F1];
$$ SPOAL[14]=PASH12[F2];			#
$$ SPOAL[18]=PASH15[F2];			#
$$ SPOAL[19]=PASH3[F1];			#
$$ SPOAL[20]=PASH3[F1];			#
$$ SPOAL[21]=PASH3[F1];			#
$$ SPOAL[22]=PASH3[F1];			#
$$ #SPOAL[23]=PASH[];			#
$$ #SPOAL[24]=PASH[];			#
$$ #SPOAL[25]=PASH[];			#
$$ #SPOAL[26]=PASH[];			#
$$ #SPOAL[27]=PASH[];			#
$$ #SPOAL[28]=PASH[];			#
$$ SPOAL[29]=PASH16[F1];                   #
$$ SPOAL[31]=PASH11[F2];			#
$$ #
$$ #global
$$ #
$$ D[9]=TTOC[F1];				#
$$ D[16]=D_grad;				#
$$ P[16]=P_grad1;				#
$$ P[17]=P_mlev;				#
$$ P[19]=P_grad2;				#
$$ P[20]=P_mlev;				#
$$ P[28]=P_hsqc;				#
$$ #
##$RELAX= 
##$BRUKER FILE EXP=pulseprogram
$$ # 1 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg"
$$ ;zg
$$ ;avance-version (06/11/09)
$$ ;1D sequence
$$ ;
$$ ;$CLASS=HighRes
$$ ;$DIM=1D
$$ ;$TYPE=
$$ ;$SUBTYPE=
$$ ;$COMMENT=
$$ 
$$ 
$$ # 1 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/Avance.incl" 1
$$ ;Avance.incl
$$ ;
$$ ;avance-version (07/01/22)
$$ ;
$$ ;$CLASS=HighRes Incl
$$ ;$COMMENT=
$$ 
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$$ ;$Id: Avance1.incl,v 1.10.6.2 2007/01/22 13:54:46 ber Exp $
$$ # 12 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg" 2
$$ 
$$ 
$$ 
$$ "acqt0=-p1*2/3.1416"
$$ 
$$ 
$$ # 1 "mc_line 18 file C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg expanding definition part of mc command before ze"
$$ define delay MCWRK
$$ define delay MCREST
$$ "MCWRK = 0.500000*30m"
$$ "MCREST = 30m - 30m"
$$ # 18 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg"
$$ 1 ze
$$ # 1 "mc_line 18 file C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg expanding definition of mc command after ze"
$$ # 19 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg"
$$ # 1 "mc_line 19 file C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg expanding start label for mc command"
$$ 2 MCWRK  * 2
$$ LBLF0, MCREST
$$ # 20 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg"
$$   d1
$$   p1 ph1
$$   go=2 ph31
$$ # 1 "mc_line 23 file C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg expanding mc command in line"
$$   MCWRK wr #0
$$   MCWRK zd 
$$   lo to LBLF0 times td0
$$ 
$$ # 24 "C:/Bruker/TOPSPIN/exp/stan/nmr/lists/pp/zg"
$$ exit
$$ 
$$ 
$$ ph1=0 2 2 0 1 3 3 1
$$ ph31=0 2 2 0 1 3 3 1
$$ 
$$ 
$$ ;pl1 : f1 channel - power level for pulse (default)
$$ ;p1 : f1 channel -  high power pulse
$$ ;d1 : relaxation delay; 1-5 * T1
$$ ;NS: 1 * n, total number of scans: NS * TD0
$$ 
$$ 
$$ 
$$ ;$Id: zg,v 1.7.10.2 2006/11/10 11:04:15 ber Exp $
##$RELAX= 
##$BRUKER FILE EXP=sample_info.prop
$$ #Fri Feb 25 10:02:50 GMT+04:00 2022
$$ I_10000=NM=Sample ID, NM2=, HEIGHT=0
$$ I_10001=NM=Origin, NM2=, HEIGHT=0
$$ I_10002=NM=Concentration, NM2=, HEIGHT=0
$$ I_10003=NM=Date Prepared, NM2=, HEIGHT=0
$$ I_10004=NM=Buffer, NM2=, HEIGHT=0
$$ I_10005=NM=Contact, NM2=, HEIGHT=0
$$ I_10006=NM=Comment, NM2=, HEIGHT=5
##$RELAX= 
##$BRUKER FILE EXP=uxnmr.par
$$ ##TITLE= Parameter file, TOPSPIN		Version 1.3
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= Administrator
$$ $$ 2014-10-16 12:21:01.890 +0400  Administrator@DPX200
$$ $$ C:/Bruker/TOPSPIN/conf/instr/spect/uxnmr.par
$$ ##$ACB= 0
$$ ##$ACBTAT= (0..15)
0 88 72 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTBA= (0..15)
0 30 40 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 70 70 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTDM= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTFHI= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTFL= (0..15)
0 249 250 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTFLO= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTOUT= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTPO= (0..15)
0 100000 20000 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTPW= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTSB= (0..15)
0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTY= <no>
$$ ##$AQSBDHW= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSBDID= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSBDNO= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSBDTY= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSBUAD= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSECL= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
255 255 255 255 255 255 255 255 255 255 255 255 255 255 
$$ ##$AQSECLS= (0..31)
255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 
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= <no>
$$ ##$BARPTY= <no>
$$ ##$BFREQ= 200.13
$$ ##$BIRDS= no
$$ ##$BMPC= 0
$$ ##$BMPCTY= <no>
$$ ##$BPSUTY= <no>
$$ ##$BSMS= 1
$$ ##$BSMSTY= <tty02>
$$ ##$CFASMOD= (0..7)
2 2 0 0 0 0 0 0 
$$ ##$CFASMUL= (0..7)
1 1 0 0 0 0 0 0 
$$ ##$CNFTXDR= (0..7)
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$$ ##$DIGIHA= (0..7)
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$$ ##$DIGIHAF= (0..7)
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$$ ##$DIGIHRD= (0..7)
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$$ ##$DIGISA= (0..7)
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$$ ##$DIGITYP= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$DIGITZ= 0
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258048 258048 0 0 0 0 0 0 
$$ ##$FCUPAL= (0..7)
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$$ ##$HPTXPI= (0..3)
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$$ ##$HPTXTY= (0..3)
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$$ ##$NAMPD11= <>
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$$ ##$NAMPD16= <>
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$$ ##$NFCU= 2
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$$ ##$PAMPF1= (0..15)
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$$ ##$PAMPF3= (0..15)
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$$ ##$PRAMP1= <tty01>
$$ ##$PRAMP2= <no>
$$ ##$PRAMP3= <no>
$$ ##$PRAMP4= <no>
$$ ##$PRAMP5= <no>
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$$ ##$ROUTER= 2
$$ ##$RX22TY= <tty10>
$$ ##$SCMTY= <no>
$$ ##$SPECTR= 7
$$ ##$SY2FLAG= 0
$$ ##$TFXNUM= 0
$$ ##$TRIPLO2= 0
$$ ##$VTUTY= <no>
$$ ##$WBREFAM= (0..15)
100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 
$$ ##$WBREFPH= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$XFAC= 2
$$ ##END=
##$RELAX= 
##$BRUKER FILE PROC=base_info
$$ 0
$$ 0
$$ 32768
$$ 1.640811E06
$$ -3.755518E02
$$ 1.069687E-02
$$ -2.564905E-07
$$ 0.000000E00
##$RELAX= 
##$BRUKER FILE PROC=parm.txt
$$ 
$$ Current Data Parameters
$$ NAME                 1H                
$$ EXPNO                 4                
$$ PROCNO                1                
$$ 
$$ F2 - Acquisition Parameters
$$ Date_          20241001                
$$ Time              10.22                
$$ INSTRUM           spect                
$$ PROBHD   5 mm QNP 1H/13                
$$ PULPROG              zg                
$$ TD                16384                
$$ SOLVENT            DMSO                
$$ NS                   32                
$$ DS                    0                
$$ SWH            4401.409 Hz             
$$ FIDRES         0.268641 Hz             
$$ AQ            1.8612725 sec            
$$ RG                 90.5                
$$ DW              113.600 usec           
$$ DE                 6.00 usec           
$$ TE                300.0 K              
$$ D1           2.00000000 sec            
$$ TD0                   1                
$$ 
$$ ======== CHANNEL f1 ========
$$ NUC1                 1H                
$$ P1                10.00 usec           
$$ PL1                6.00 dB             
$$ SFO1        200.1313924 MHz            
$$ 
$$ F2 - Processing parameters
$$ SI                32768                
$$ SF          200.1300000 MHz            
$$ WDW                  EM                
$$ SSB                   0                
$$ LB                 0.05 Hz             
$$ GB                    0                
$$ PC                 1.00                
##$RELAX= 
$$ Bruker specific parameters
$$ --------------------------
##$DU= <F:/spectra>
##$EXPNO= 4
##$NAME= <1H>
##$PROCNO= 1
##$TYPE= <nmr>
##$USER= <iren>
##$AMP= (0..31)
100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 
100 100 100 100 100 100 100 100 100 100 100 100 100 100 
##$ANAVPT= -1
##$AQSEQ= 0
##$AQ_mod= 1
##$AUNM= <au_zg>
##$AUTOPOS= <>
##$BF1= 200.13
##$BF2= 200.13
##$BF3= 200.13
##$BF4= 200.13
##$BF5= 200.13
##$BF6= 200.13
##$BF7= 200.13
##$BF8= 200.13
##$BYTORDA= 1
##$CFDGTYP= 0
##$CFRGTYP= 5
##$CHEMSTR= <none>
##$CNST= (0..63)
1 1 145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
##$CPDPRG= <>
##$CPDPRG1= <>
##$CPDPRG2= <>
##$CPDPRG3= <>
##$CPDPRG4= <mlev>
##$CPDPRG5= <mlev>
##$CPDPRG6= <mlev>
##$CPDPRG7= <mlev>
##$CPDPRG8= <mlev>
##$CPDPRGB= <>
##$CPDPRGT= <>
##$D= (0..63)
0 2 0 0 0 0 0 0 0 0.06 0 0.03 0 0 0 0 0.0002 0 0 0 0 0 0 0 0 0 0 0 0 0 
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$DATE= 1734689088
##$DBL= (0..7)
120 120 120 120 120 120 120 120 
##$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= 6
##$DECBNUC= <off>
##$DECIM= 32
##$DECNUC= <off>
##$DECSTAT= 4
##$DIGMOD= 1
##$DIGTYP= 9
##$DL= (0..7)
0 120 120 120 120 120 120 120 
##$DP= (0..7)
150 150 150 150 150 150 150 150 
##$DP07= 0
##$DPNAME0= <>
##$DPNAME1= <>
##$DPNAME2= <>
##$DPNAME3= <>
##$DPNAME4= <>
##$DPNAME5= <>
##$DPNAME6= <>
##$DPNAME7= <>
##$DPOAL= (0..7)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
##$DPOFFS= (0..7)
0 0 0 0 0 0 0 0 
##$DQDMODE= 0
##$DR= 18
##$DS= 0
##$DSLIST= <SSSSSSSSSSSSSSS>
##$DSPFIRM= 0
##$DSPFVS= 10
##$DTYPA= 0
##$EXP= <>
##$F1LIST= <freqlist>
##$F2LIST= <222222222222222>
##$F3LIST= <333333333333333>
##$FCUCHAN= (0..9)
0 1 0 0 0 0 0 0 0 0 
##$FL1= 90
##$FL2= 90
##$FL3= 90
##$FL4= 90
##$FOV= 20
##$FQ1LIST= <freqlist>
##$FQ2LIST= <freqlist>
##$FQ3LIST= <freqlist>
##$FQ4LIST= <freqlist>
##$FQ5LIST= <freqlist>
##$FQ6LIST= <freqlist>
##$FQ7LIST= <freqlist>
##$FQ8LIST= <freqlist>
##$FRQLO3= 0
##$FRQLO3N= 0
##$FS= (0..7)
83 83 83 83 83 83 83 83 
##$FTLPGN= 0
##$FW= 93750
##$FnMODE= 0
##$GP031= 0
##$GPNAM0= <sine.100>
##$GPNAM1= <sine.100>
##$GPNAM10= <sine.100>
##$GPNAM11= <sine.100>
##$GPNAM12= <sine.100>
##$GPNAM13= <sine.100>
##$GPNAM14= <sine.100>
##$GPNAM15= <sine.100>
##$GPNAM16= <sine.100>
##$GPNAM17= <sine.100>
##$GPNAM18= <sine.100>
##$GPNAM19= <sine.100>
##$GPNAM2= <sine.100>
##$GPNAM20= <sine.100>
##$GPNAM21= <sine.100>
##$GPNAM22= <sine.100>
##$GPNAM23= <sine.100>
##$GPNAM24= <sine.100>
##$GPNAM25= <sine.100>
##$GPNAM26= <sine.100>
##$GPNAM27= <sine.100>
##$GPNAM28= <sine.100>
##$GPNAM29= <sine.100>
##$GPNAM3= <sine.100>
##$GPNAM30= <sine.100>
##$GPNAM31= <sine.100>
##$GPNAM4= <sine.100>
##$GPNAM5= <sine.100>
##$GPNAM6= <sine.100>
##$GPNAM7= <sine.100>
##$GPNAM8= <sine.100>
##$GPNAM9= <sine.100>
##$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= 1
##$HL2= 35
##$HL3= 16
##$HL4= 17
##$HOLDER= 0
##$HPMOD= (0..7)
0 0 0 0 0 0 0 0 
##$HPPRGN= 0
##$IN= (0..31)
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
##$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 
##$INSTRUM= <spect>
##$L= (0..31)
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 
##$LFILTER= 100
##$LGAIN= -15
##$LOCKED= yes
##$LOCKFLD= 2315
##$LOCKGN= 140.399993896484
##$LOCKPOW= -25
##$LOCKPPM= 7.23999977111816
##$LOCNUC= <2H>
##$LOCPHAS= 230
##$LOCSHFT= yes
##$LOCSW= 0
##$LTIME= 0.200000002980232
##$MASR= 0
##$MASRLST= <masrlst>
##$NBL= 1
##$NC= -2
##$NS= 64
##$NUC1= <1H>
##$NUC2= <off>
##$NUC3= <off>
##$NUC4= <off>
##$NUC5= <off>
##$NUC6= <off>
##$NUC7= <off>
##$NUC8= <off>
##$NUCLEI= 0
##$NUCLEUS= <off>
##$O1= 1300.845
##$O2= 504.98
##$O3= 1276.2162970148
##$O4= 300002600.670695
##$O5= 300000000
##$O6= 300000000
##$O7= 300000000
##$O8= 300000000
##$OBSCHAN= (0..9)
0 0 0 0 0 0 0 0 0 0 
##$OVERFLW= 0
##$P= (0..63)
10 10 20 0 0 0 0 0 0 0 0 0 0 0 0 200000 1000 2500 0 600 2500 0 0 0 0 0 
0 10 1000 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 
##$PAPS= 2
##$PARMODE= 0
##$PCPD= (0..9)
100 100 100 100 100 100 100 100 100 100 
##$PHCOR= (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 
##$PHP= 1
##$PH_ref= 0
##$PL= (0..63)
120 6 120 120 120 120 120 120 120 70 120 120 120 120 120 120 120 120 6 
26 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 
120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 
120 120 120 120 120 120 120 120 120 
##$POWMOD= 0
##$PR= 1
##$PRECHAN= (0..15)
5 5 2 5 5 5 5 5 5 5 5 5 5 5 5 5 
##$PRGAIN= 0
##$PROBHD= <5 mm QNP 1H/13C/31P/19F Z3183/0120
>
##$PROSOL= no
##$PULPROG= <zg>
##$PW= 0
##$PYNM= <acqu.py>
##$PYNMP= <proc.py>
##$QNP= 3
##$RD= 0
##$RECCHAN= (0..15)
-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 
##$RECPH= 0
##$RG= 574.7
##$RO= 0
##$ROUTWD1= (0..23)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 
##$ROUTWD2= (0..23)
0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 
##$RPUUSED= (0..8)
0 0 0 0 0 0 0 0 0 
##$RSEL= (0..9)
0 2 0 0 0 0 0 0 0 0 
##$S= (0..7)
83 4 83 83 83 83 83 83 
##$SEOUT= 0
##$SFO1= 200.131300845
##$SFO2= 200.13050498
##$SFO3= 200.131276216297
##$SFO4= 500.132600670695
##$SFO5= 500.13
##$SFO6= 500.13
##$SFO7= 500.13
##$SFO8= 500.13
##$SOLVENT= <CDCl3>
##$SP= (0..31)
1 120 120 0 0 0 120 0 0 0 0 120 0 0 120 0 150 150 120 120.87 118.96 122.27 
114.95 150 150 150 150 150 150 120 150 120 
##$SP07= 0
##$SPECTR= 0
##$SPNAM0= <gauss>
##$SPNAM1= <Gaus1.1000>
##$SPNAM10= <gauss>
##$SPNAM11= <Gaus1.1000>
##$SPNAM12= <gauss>
##$SPNAM13= <gauss>
##$SPNAM14= <>
##$SPNAM15= <>
##$SPNAM16= <gauss>
##$SPNAM17= <gauss>
##$SPNAM18= <>
##$SPNAM19= <Gaus1.1000>
##$SPNAM2= <Gaus1.1000>
##$SPNAM20= <Gaus1.1000>
##$SPNAM21= <Gaus1.1000>
##$SPNAM22= <Gaus1.1000>
##$SPNAM23= <gauss>
##$SPNAM24= <gauss>
##$SPNAM25= <gauss>
##$SPNAM26= <gauss>
##$SPNAM27= <gauss>
##$SPNAM28= <gauss>
##$SPNAM29= <Gaus1.1000>
##$SPNAM3= <>
##$SPNAM30= <gauss>
##$SPNAM31= <>
##$SPNAM4= <gauss>
##$SPNAM5= <gauss>
##$SPNAM6= <Gaus1.1000>
##$SPNAM7= <>
##$SPNAM8= <gauss>
##$SPNAM9= <gauss>
##$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= 21.9926040160658
##$SWIBOX= (0..15)
0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$SW_h= 4401.40845070422
##$TD= 16384
##$TD0= 1
##$TE= 300
##$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
##$USERA1= <user>
##$USERA2= <user>
##$USERA3= <user>
##$USERA4= <user>
##$USERA5= <user>
##$V9= 5
##$VALIST= <valist>
##$VCLIST= <CCCCCCCCCCCCCCC>
##$VD= 0
##$VDLIST= <DDDDDDDDDDDDDDD>
##$VPLIST= <PPPPPPPPPPPPPPP>
##$VTLIST= <TTTTTTTTTTTTTTT>
##$WBST= 1024
##$WBSW= 25
##$XGAIN= (0..3)
0 0 0 0 
##$XL= 0
##$YL= 0
##$YMAX_a= 2483910
##$YMIN_a= -3776729
##$ZGOPTNS= <>
##$ZL1= 120
##$ZL2= 120
##$ZL3= 120
##$ZL4= 120
##$ABSF1= 10
##$ABSF2= 0
##$ABSG= 5
##$ABSL= 3
##$ALPHA= 0
##$AQORDER= 0
##$ASSFAC= 0
##$ASSFACI= 0
##$ASSFACX= 0
##$ASSWID= 0
##$AUNMP= <proc_1d>
##$AXLEFT= 0
##$AXRIGHT= 0
##$AXTYPE= 0
##$AXUNIT= <>
##$AZFE= 0.1
##$AZFW= 0.1
##$BCFW= 1
##$BC_mod= 2
##$BYTORDP= 1
##$COROFFS= 0
##$CY= 7568.61572265625
##$DATMOD= 1
##$DC= 2
##$DFILT= <>
##$DTYPP= 0
##$F1P= 17.9538593292236
##$F2P= -4.03888763876832
##$FCOR= 0.5
##$FTSIZE= 32768
##$FT_mod= 4
##$GAMMA= 1
##$GB= 1
##$INTBC= 1
##$INTSCL= 1
##$ISEN= 128
##$LB= 0.02
##$LEV0= 0
##$LPBIN= 0
##$MAXI= 945.577
##$MC2= 0
##$MEAN= 0
##$ME_mod= 0
##$MI= -402.1523
##$NCOEF= 0
##$NC_proc= 0
##$NLEV= 6
##$NOISF1= 8.587773
##$NOISF2= 6.764455
##$NSP= 1
##$NTH_PI= 0
##$NZP= 0
##$OFFSET= 17.49637
##$PC= 1
##$PHC0= 254.3757
##$PHC1= -1.979401
##$PH_mod= 0
##$PKNL= yes
##$PPARMOD= 0
##$PPDIAG= 0
##$PPIPTYP= 0
##$PPMPNUM= 100
##$PPRESOL= 1
##$PSCAL= 0
##$PSIGN= 0
##$REVERSE= no
##$SF= 200.13
##$SI= 32768
##$SIGF1= 18.5376
##$SIGF2= -6.396296
##$SINO= 400
##$SIOLD= 32768
##$SREGLST= <1H.CDCl3>
##$SSB= 3
##$STSI= 0
##$STSR= 0
##$SW_p= 4401.40845070422
##$SYMM= 0
##$S_DEV= 0
##$TDeff= 0
##$TDoff= 0
##$TI= <>
##$TILT= no
##$TM1= 0
##$TM2= 0
##$TOPLEV= 0
##$USERP1= <user>
##$USERP2= <user>
##$USERP3= <user>
##$USERP4= <user>
##$USERP5= <user>
##$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=   8192,          8192,            8192
##UNITS=     SECONDS,       ARBITRARY UNITS, ARBITRARY UNITS
##FACTOR=    0.0002272,     1,               1
##FIRST=     0,             0,               0
##LAST=      1.8609952,     -129,            294
##MIN=       0,             -3776729,        -3776729
##MAX=       1.8609952,     2483910,         2483910
$$ Real data points
##PAGE= N=1
##DATA TABLE= (X++(R..R)), XYDATA
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##PAGE= N=2
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8191B94
##END NTUPLES=NMR FID
##END=
