##TITLE=	Feb27-2020.650.1.1r
KC1
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	1
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	kct19
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ NMR Spectrum
##$MNOVA/ITEM/POLYGON=	(XY..XY)
5321,5835
8722,5835
8722,8208
5321,8208
5321,5835
##$MNOVA/ITEM/Z=	0
##$MNOVA/ITEM/ANGLE=	0
##TITLE=	Feb27-2020.650.1.1r
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	2
##DATA TYPE=	NMR SPECTRUM
##DATA CLASS=	XYDATA
##NUMDIM=	1
##ORIGIN=	Bruker BioSpin GmbH
##OWNER=	nmrsu
##.OBSERVE FREQUENCY=	400.05240029848198446
##.OBSERVE NUCLEUS=	^1H
##.SOLVENT NAME=	CDCl3
##.PULSE SEQUENCE=	zg30
##LONGDATE=	2020/02/27 18:06:00.000
##.ACQUISITIONMODE=	SIMULTANEOUS
##$ORIGINAL FORMAT=	Bruker XWIN-NMR
##$MNOVA/SCALES_VERSION=	8
##$PARAMETER FILE=	(acqus, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/acqus, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 1	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-02-27 19:02:19.246 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/650/acqus
$$ $$ process /opt/topspin3.2/prog/mod/dirdata
$$ ##$ACQT0= -2.04831932773109
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$$ 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100
$$ 100 100 100 100 100 100 100 100 100 100 100 100 100 100
$$ ##$AMPCOIL= (0..19)
$$ -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ANAVPT= -1
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$$ ##$AUNM= <au_zg>
$$ ##$AUTOPOS= <5 >
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$$ ##$BF2= 400.05
$$ ##$BF3= 400.05
$$ ##$BF4= 400.05
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$$ ##$CAGPARS= (0..11)
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$$ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
$$ ##$CPDPRG= (0..8)
$$ <> <> <> <> <> <> <> <> <>
$$ ##$D= (0..63)
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$$ ##$DATE= 1582826794
$$ ##$DE= 6.5
$$ ##$DECBNUC= <off>
$$ ##$DECIM= 2496
$$ ##$DECNUC= <off>
$$ ##$DECSTAT= 4
$$ ##$DIGMOD= 1
$$ ##$DIGTYP= 12
$$ ##$DQDMODE= 0
$$ ##$DR= 22
$$ ##$DS= 4
$$ ##$DSPFIRM= 0
$$ ##$DSPFVS= 20
$$ ##$DTYPA= 0
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$$ ##$FRQLO3N= 2
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$$ 83 83 83 83 83 83 83 83
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$$ <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ <> <> <> <> <> <> <> <>
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$$ ##$GRDPROG= <>
$$ ##$GRPDLY= 67.9842376708984
$$ ##$HDDUTY= 20
$$ ##$HDRATE= 1
$$ ##$HGAIN= (0..3)
$$ 0 0 0 0
$$ ##$HL1= 1
$$ ##$HL2= 35
$$ ##$HL3= 16
$$ ##$HL4= 17
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$$ 0 0 0 0 0 0 0 0
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$$ ##$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= -12
$$ ##$LINPSTP= 0
$$ ##$LOCKED= yes
$$ ##$LOCKFLD= 1791
$$ ##$LOCKGN= 121.973983764648
$$ ##$LOCKPOW= -30
$$ ##$LOCKPPM= 7.23999977111816
$$ ##$LOCNUC= <2H>
$$ ##$LOCPHAS= 197.276
$$ ##$LOCSHFT= yes
$$ ##$LOCSW= 0
$$ ##$LTIME= 0.400000005960464
$$ ##$MASR= 4200
$$ ##$MASRLST= <masrlst>
$$ ##$MULEXPNO= (0..15)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$NBL= 1
$$ ##$NC= -6
$$ ##$NLOGCH= 2
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$$ ##$NS= 16
$$ ##$NUC1= <1H>
$$ ##$NUC2= <off>
$$ ##$NUC3= <off>
$$ ##$NUC4= <off>
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$$ ##$NUCLEUS= <off>
$$ ##$NUSLIST= <automatic>
$$ ##$NusAMOUNT= 25
$$ ##$NusFPNZ= no
$$ ##$NusJSP= 0
$$ ##$NusSEED= 54321
$$ ##$NusT2= 1
$$ ##$NusTD= 0
$$ ##$O1= 2400.3
$$ ##$O2= 2470.47
$$ ##$O3= 2470.47
$$ ##$O4= 2470.47
$$ ##$O5= 2470.47
$$ ##$O6= 2470.47
$$ ##$O7= 2470.47
$$ ##$O8= 2470.47
$$ ##$OVERFLW= 0
$$ ##$P= (0..63)
$$ 9.75 9.75 19.5 0 0 17.16 26 52 20000 0 0 80000 80000 1000 0 0 1000 2500
$$ 100000 600 0 0 0 0 0 126 100000 9.75 1000 1000 0 0 20000 0 0 0 0 0 0 0
$$ 2000 0 0 0 300 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PACOIL= (0..15)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PAPS= 0
$$ ##$PARMODE= 0
$$ ##$PCPD= (0..9)
$$ 0 90 0 0 0 0 0 0 0 0
$$ ##$PEXSEL= (0..9)
$$ 1 1 1 1 1 1 1 1 1 1
$$ ##$PHCOR= (0..31)
$$ 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
$$ ##$PHLIST= <>
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$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120
$$ ##$PLSTEP= 0.1
$$ ##$PLSTRT= -6
$$ ##$PLW= (0..63)
$$ 0 17 0 0 0 0 0 0 0 6.4642e-05 2.3906 0.13356 0 0 0 0 0 0 17 0.19951 0 0
$$ 0 0 0 0 0 0.40717 0 2.3906 0 0 2.5857e-06 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PLWMAX= (0..7)
$$ 41.6 0 0 0 0 0 0 0
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$$ ##$PRECHAN= (0..15)
$$ -1 2 0 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ ##$PRGAIN= 0
$$ ##$PROBHD= <5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0188
$$ >
$$ ##$PULPROG= <zg30>
$$ ##$PW= 0
$$ ##$PYNM= <>
$$ ##$QNP= 0
$$ ##$RD= 0
$$ ##$RECCHAN= (0..15)
$$ 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RECPH= 0
$$ ##$RECPRE= (0..15)
$$ 0 0 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ ##$RECPRFX= (0..15)
$$ 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RECSEL= (0..15)
$$ 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RG= 62.67
$$ ##$RO= 20
$$ ##$ROUTWD1= (0..23)
$$ 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0
$$ ##$ROUTWD2= (0..23)
$$ 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0
$$ ##$RSEL= (0..15)
$$ 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$S= (0..7)
$$ 83 4 83 83 83 83 83 83
$$ ##$SELREC= (0..9)
$$ 0 0 0 0 0 0 0 0 0 0
$$ ##$SFO1= 400.0524003
$$ ##$SFO2= 400.05247047
$$ ##$SFO3= 400.05247047
$$ ##$SFO4= 400.05247047
$$ ##$SFO5= 400.05247047
$$ ##$SFO6= 400.05247047
$$ ##$SFO7= 400.05247047
$$ ##$SFO8= 400.05247047
$$ ##$SOLVENT= <CDCl3>
$$ ##$SOLVOLD= <off>
$$ ##$SP= (0..63)
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120
$$ ##$SPECTR= 0
$$ ##$SPINCNT= 0
$$ ##$SPNAM= (0..63)
$$ <> <Gaus1_270.1000> <Gaus1_180r.1000> <> <> <Squa100.1000> <Squa100.1000>
$$ <> <Squa100.1000> <> <Squa100.1000> <Squa100.1000> <> <> <> <> <> <> <>
$$ <Sinc1.1000> <Sinc1.1000> <Sinc1.1000> <Sinc1.1000> <> <> <> <> <> <> <Crp60,20,20.10>
$$ <Bip720,50,20.1> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ ##$SPOAL= (0..63)
$$ 0.5 1 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
$$ 1 1 1 1 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
$$ 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
$$ 0.5 0.5 0.5 0.5 0.5 0.5 0.5
$$ ##$SPOFFS= (0..63)
$$ 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
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SPPEX= (0..63)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SPW= (0..63)
$$ 0 1.3416e-05 5.9626e-06 0 0 0.0016161 6.4642e-05 0 1.6161e-07 0 0.0016161
$$ 0.0016161 0 0 0 0 0 0 0 9.51805e-06 1.47955e-05 6.90845e-06 3.72567e-05
$$ 0 0 0 0 0 0 0.061729 1.1492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SUBNAM= (0..9)
$$ <> <> <> <> <> <> <> <> <> <>
$$ ##$SW= 20.0294274120382
$$ ##$SWIBOX= (0..19)
$$ 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SW_h= 8012.82051282051
$$ ##$SWfinal= 0
$$ ##$TD= 32768
$$ ##$TD0= 1
$$ ##$TE= 296.9972
$$ ##$TE1= 296.9972
$$ ##$TE2= 0
$$ ##$TE3= 0
$$ ##$TE4= 0
$$ ##$TEG= 300
$$ ##$TE_PIDX= 1
$$ ##$TE_STAB= (0..9)
$$ 2 2 0 0 0 0 0 0 0 0
$$ ##$TL= (0..7)
$$ 120 120 120 120 120 120 120 120
$$ ##$TUNHIN= 0
$$ ##$TUNHOUT= 0
$$ ##$TUNXOUT= 0
$$ ##$USERA1= <>
$$ ##$USERA2= <>
$$ ##$USERA3= <>
$$ ##$USERA4= <>
$$ ##$USERA5= <>
$$ ##$V9= 5
$$ ##$VALIST= <>
$$ ##$VCLIST= <>
$$ ##$VD= 0
$$ ##$VDLIST= <>
$$ ##$VPLIST= <>
$$ ##$VTLIST= <>
$$ ##$WBST= 1024
$$ ##$WBSW= 4
$$ ##$XGAIN= (0..3)
$$ 0 0 0 0
$$ ##$XL= 0
$$ ##$YL= 0
$$ ##$YMAX_a= 2188115
$$ ##$YMIN_a= -2487822
$$ ##$ZGOPTNS= <>
$$ ##$ZL1= 120
$$ ##$ZL2= 120
$$ ##$ZL3= 120
$$ ##$ZL4= 120
$$ ##END=
$$ 
##$PARAMETER FILE=	(audita.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/audita.txt, 0)
$$ ##TITLE= Audit trail, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/650/audita.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-02-27 18:06:34.390 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-02-27 18:05:31.728 +0000,
$$ 	POWCHK enabled, PULCHK disabled,
$$        configuration hash MD5:
$$        8A 91 E6 C4 64 AA B7 18 DA B6 E1 A8 9A 5E 4B 87
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   2,<2020-02-27 18:06:35.131 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   3,<2020-02-27 18:06:35.140 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   4,<2020-02-27 19:02:19.251 +0000>,<nmrsu>,<nmrpc>,<dirdata>,<TOPSPIN 3.2>,
$$       <wrpa from 1 650 "Feb27-2020" "/opt/topspin/data/nmr/nmr"
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ 01 67 CD 07 81 78 95 BD E4 58 80 D5 3C 0F 92 CE
$$ 
##$PARAMETER FILE=	(auditp.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/auditp.txt, 0)
$$ ##TITLE= Audit trail, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/650/pdata/1/auditp.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-02-27 18:06:34.390 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-02-27 18:05:31.728 +0000,
$$ 	POWCHK enabled, PULCHK disabled,
$$        configuration hash MD5:
$$        8A 91 E6 C4 64 AA B7 18 DA B6 E1 A8 9A 5E 4B 87
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   2,<2020-02-27 18:06:35.131 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   3,<2020-02-27 18:06:35.140 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        5D 69 97 A9 74 BB 98 2E 57 F4 E0 BC B6 7D 44 08>)
$$ (   4,<2020-02-27 18:06:35.603 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <Start of raw data processing
$$        ef LB = 0.3 FT_mod = 6 PKNL = 1 SI = 32K 
$$        data hash MD5: 32K
$$        0B 26 0F 2E 5E 14 FB 68 72 AE 1B 99 92 AF EA B2>)
$$ (   5,<2020-02-27 18:06:35.635 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <apks 
$$        data hash MD5: 32K
$$        56 9B D8 CF 3F FA 92 E9 B2 61 BC 0F 61 A0 74 C1>)
$$ (   6,<2020-02-27 18:06:35.659 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <abs ABSG = 5 
$$        data hash MD5: 32K
$$        19 8D 35 E3 40 73 6E 05 9C 7A D3 69 41 AC F8 C0>)
$$ (   7,<2020-02-27 19:02:19.256 +0000>,<nmrsu>,<nmrpc>,<dirdata>,<TOPSPIN 3.2>,
$$       <wrpa from 1 650 "Feb27-2020" "/opt/topspin/data/nmr/nmr"
$$        data hash MD5: 32K
$$        19 8D 35 E3 40 73 6E 05 9C 7A D3 69 41 AC F8 C0>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ 64 2B 76 B3 9D DC 47 47 C1 2B 51 AB DD 9D 70 2C
$$ 
##$PARAMETER FILE=	(datafile, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/1r, 0)
$$ 
##$PARAMETER FILE=	(format.temp, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/format.temp, 0)
$$ 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 ========"
$$ NAME		SFO1
$$ 		FORMAT	"%14.7f MHz"
$$ 		TEXT	" "
$$ END
$$ NAME		NUC1
$$ 		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
$$ T_NAME		PLW1
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0 41.6
$$ 		REL	"PLW1=PLW[1]"
$$ 		INV_REL	"PLW[1]=PLW1"
$$ 		UNIT	"W"
$$ 		FORMAT	"%14.8f W"
$$ 		TEXT	"power PLW1 "
$$ END
$$ 
##$PARAMETER FILE=	(intrng, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/intrng, 0)
$$ P 0
$$ 7.446833   7.150375
$$ 7.149764   6.941938
$$ 6.941327   6.628976
$$ 5.758552   5.027493
$$ 3.149723   2.710843
$$ 2.710232   2.468786
$$ 2.468175   0.331234
$$ 
##$PARAMETER FILE=	(parm.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/parm.txt, 0)
$$ 
$$ Current Data Parameters
$$ NAME         Feb27-2020              
$$ EXPNO               650              
$$ PROCNO                1              
$$ 
$$ F2 - Acquisition Parameters
$$ Date_          20200227              
$$ Time              18.06              
$$ INSTRUM           spect              
$$ PROBHD   5 mm PABBO BB/              
$$ PULPROG            zg30              
$$ TD                32768              
$$ SOLVENT           CDCl3              
$$ NS                   16              
$$ DS                    4              
$$ SWH            8012.820 Hz           
$$ FIDRES         0.244532 Hz           
$$ AQ            2.0447233 sec          
$$ RG                62.67              
$$ DW               62.400 usec         
$$ DE                 6.50 usec         
$$ TE                297.0 K            
$$ D1           1.00000000 sec          
$$ TD0                   1              
$$ 
$$ ======== CHANNEL f1 ========
$$ SFO1        400.0524003 MHz          
$$ NUC1                 1H              
$$ P1                 9.75 usec         
$$ PLW1        17.00000000 W            
$$ 
$$ F2 - Processing parameters
$$ SI                32768              
$$ SF          400.0500000 MHz          
$$ WDW                  EM              
$$ SSB      0              
$$ LB                 0.30 Hz           
$$ GB       0              
$$ PC                 1.00              
$$ 
##$PARAMETER FILE=	(peak.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/peak.txt, 0)
$$ DU=/opt/topspin/data/nmr/nmr, USER=nmrsu, NAME=Feb27-2020, EXPNO=650, PROCNO=1
$$ F1=16.015ppm, F2=-4.015ppm, MI=0.40cm, MAXI=10000.00cm, PC=1.000
$$            #     ADDRESS            FREQUENCY         INTENSITY
$$                            [Hz]        [PPM]
$$      1     14282.9     2913.964       7.2840         5.69
$$      2     14381.5     2889.841       7.2237         1.64
$$      3     14413.8     2881.960       7.2040         2.03
$$      4     14665.7     2820.352       7.0500         0.90
$$      5     14669.8     2819.352       7.0475         0.92
$$      6     14697.9     2812.472       7.0303         0.73
$$      7     14701.2     2811.671       7.0283         0.73
$$      8     14702.5     2811.351       7.0275         0.74
$$      9     15045.6     2727.461       6.8178         1.63
$$     10     15049.4     2726.541       6.8155         1.59
$$     11     17296.4     2177.072       5.4420         0.43
$$     12     17301.8     2175.752       5.4387         0.61
$$     13     17311.3     2173.432       5.4329         0.53
$$     14     17317.2     2171.991       5.4293         0.82
$$     15     17322.2     2170.751       5.4262         0.59
$$     16     17340.2     2166.351       5.4152         0.97
$$     17     17345.5     2165.071       5.4120         1.62
$$     18     17354.1     2162.950       5.4067         1.22
$$     19     17361.8     2161.070       5.4020         1.47
$$     20     17368.5     2159.430       5.3979         1.66
$$     21     17376.7     2157.430       5.3929         2.84
$$     22     17385.4     2155.309       5.3876         1.44
$$     23     17387.5     2154.789       5.3863         1.53
$$     24     17391.6     2153.789       5.3838         1.34
$$     25     17399.1     2151.949       5.3792         1.33
$$     26     17404.7     2150.589       5.3758         0.65
$$     27     17410.2     2149.229       5.3724         0.76
$$     28     17414.7     2148.148       5.3697         0.77
$$     29     17432.7     2143.748       5.3587         0.71
$$     30     17437.9     2142.468       5.3555         0.86
$$     31     17443.4     2141.108       5.3521         0.60
$$     32     17459.3     2137.227       5.3424         0.41
$$     33     21283.3     1202.150       3.0050         0.67
$$     34     21311.4     1195.269       2.9878         0.91
$$     35     21339.7     1188.349       2.9705         0.69
$$     36     21530.6     1141.663       2.8538         1.37
$$     37     21554.2     1135.902       2.8394         2.39
$$     38     21578.9     1129.861       2.8243         1.50
$$     39     21611.1     1121.980       2.8046         0.42
$$     40     21922.9     1045.731       2.6140         1.88
$$     41     21953.5     1038.250       2.5953         3.14
$$     42     21984.4     1030.689       2.5764         2.07
$$     43     22379.0      934.197       2.3352         9.74
$$     44     22446.1      917.795       2.2942         0.58
$$     45     22723.7      849.906       2.1245         0.99
$$     46     22725.7      849.426       2.1233         0.96
$$     47     22754.8      842.305       2.1055         2.18
$$     48     22782.6      835.504       2.0885         2.11
$$     49     22811.9      828.344       2.0706         0.89
$$     50     23226.3      727.011       1.8173         0.83
$$     51     23256.1      719.730       1.7991         1.25
$$     52     23287.2      712.129       1.7801         0.97
$$     53     23317.9      704.608       1.7613         0.42
$$     54     23622.9      630.039       1.5749         5.33
$$     55     23788.4      589.554       1.4737         0.46
$$     56     23796.1      587.673       1.4690         0.48
$$     57     23813.6      583.393       1.4583         0.75
$$     58     23827.5      579.992       1.4498         0.72
$$     59     23847.7      575.072       1.4375         0.80
$$     60     23858.8      572.352       1.4307         0.76
$$     61     23875.5      568.271       1.4205         1.04
$$     62     23904.9      561.070       1.4025         1.70
$$     63     23936.8      553.269       1.3830         3.11
$$     64     23947.8      550.589       1.3763         2.71
$$     65     23976.7      543.508       1.3586         0.78
$$     66     23997.9      538.347       1.3457         0.96
$$     67     24006.0      536.347       1.3407         0.89
$$     68     24025.2      531.666       1.3290         1.91
$$     69     24045.8      526.626       1.3164         1.76
$$     70     24055.3      524.306       1.3106         2.15
$$     71     24086.2      516.745       1.2917         5.25
$$     72     24115.3      509.624       1.2739         1.77
$$     73     24134.6      504.903       1.2621         0.40
$$     74     24143.6      502.703       1.2566         1.21
$$     75     24203.8      487.981       1.2198        15.00
$$     76     24232.1      481.060       1.2025        14.79
$$     77     24527.9      408.731       1.0217         3.19
$$     78     24558.8      401.170       1.0028         6.26
$$     79     24589.6      393.649       0.9840         3.04
$$     80     24682.8      370.846       0.9270         3.67
$$     81     24700.3      366.566       0.9163         2.68
$$     82     24710.3      364.126       0.9102        11.16
$$     83     24730.3      359.245       0.8980         1.34
$$     84     24739.1      357.085       0.8926         4.15
$$ 
##$PARAMETER FILE=	(procs, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/procs, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 1	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-02-27 19:02:19.252 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/650/pdata/1/procs
$$ $$ process /opt/topspin3.2/prog/mod/dirdata
$$ ##$ABSF1= 16.01477
$$ ##$ABSF2= -4.014776
$$ ##$ABSG= 5
$$ ##$ABSL= 3
$$ ##$ALPHA= 0
$$ ##$AQORDER= 0
$$ ##$ASSFAC= 0
$$ ##$ASSFACI= 0
$$ ##$ASSFACX= 0
$$ ##$ASSWID= 0
$$ ##$AUNMP= <proc_1dIC3>
$$ ##$AXLEFT= 0
$$ ##$AXNAME= <>
$$ ##$AXNUC= <1H>
$$ ##$AXRIGHT= 0
$$ ##$AXTYPE= 0
$$ ##$AXUNIT= <>
$$ ##$AZFE= 0.1
$$ ##$AZFW= 0.1
$$ ##$BCFW= 0
$$ ##$BC_mod= 0
$$ ##$BYTORDP= 0
$$ ##$COROFFS= 0
$$ ##$CY= 15
$$ ##$DATMOD= 1
$$ ##$DC= 0
$$ ##$DFILT= <>
$$ ##$DTYPP= 0
$$ ##$ERETIC= no
$$ ##$F1P= 10
$$ ##$F2P= -1
$$ ##$FCOR= 0.5
$$ ##$FTSIZE= 32768
$$ ##$FT_mod= 6
$$ ##$GAMMA= 0
$$ ##$GB= 0
$$ ##$INTBC= 1
$$ ##$INTSCL= 1
$$ ##$ISEN= 128
$$ ##$LB= 0.3
$$ ##$LEV0= 0
$$ ##$LPBIN= 0
$$ ##$MAXI= 10000
$$ ##$MC2= 0
$$ ##$MEAN= 0
$$ ##$ME_mod= 0
$$ ##$MI= 0.4
$$ ##$MddCEXP= no
$$ ##$MddCT_SP= no
$$ ##$MddF180= no
$$ ##$MddLAMBDA= 0
$$ ##$MddMEMORY= 0
$$ ##$MddMERGE= 0
$$ ##$MddNCOMP= 0
$$ ##$MddNITER= 0
$$ ##$MddNOISE= 0
$$ ##$MddPHASE= 0
$$ ##$MddSEED= 0
$$ ##$MddSRSIZE= 0
$$ ##$Mdd_CsALG= 0
$$ ##$Mdd_CsLAMBDA= 0
$$ ##$Mdd_CsNITER= 0
$$ ##$Mdd_CsNORM= 0
$$ ##$Mdd_CsZF= 0
$$ ##$Mdd_mod= 0
$$ ##$NCOEF= 0
$$ ##$NC_proc= -6
$$ ##$NLEV= 6
$$ ##$NOISF1= 0
$$ ##$NOISF2= 0
$$ ##$NSP= 0
$$ ##$NTH_PI= 0
$$ ##$NZP= 0
$$ ##$OFFSET= 16.01477
$$ ##$PC= 1
$$ ##$PHC0= -56.17704
$$ ##$PHC1= -19.45901
$$ ##$PH_mod= 1
$$ ##$PKNL= yes
$$ ##$PPARMOD= 0
$$ ##$PPDIAG= 0
$$ ##$PPIPTYP= 0
$$ ##$PPMPNUM= 2147483647
$$ ##$PPRESOL= 1
$$ ##$PSCAL= 4
$$ ##$PSIGN= 0
$$ ##$PYNMP= <proc.py>
$$ ##$REVERSE= no
$$ ##$SF= 400.05
$$ ##$SI= 32768
$$ ##$SIGF1= 0
$$ ##$SIGF2= 0
$$ ##$SINO= 0
$$ ##$SIOLD= 32768
$$ ##$SPECTYP= <>
$$ ##$SREGLST= <1H.CDCl3>
$$ ##$SSB= 0
$$ ##$STSI= 32768
$$ ##$STSR= 0
$$ ##$SW_p= 8012.8205128205
$$ ##$SYMM= 0
$$ ##$S_DEV= 0
$$ ##$TDeff= 32768
$$ ##$TDoff= 0
$$ ##$TI= <1H
$$ 
$$ >
$$ ##$TILT= no
$$ ##$TM1= 0
$$ ##$TM2= 0
$$ ##$TOPLEV= 0
$$ ##$USERP1= <>
$$ ##$USERP2= <>
$$ ##$USERP3= <>
$$ ##$USERP4= <>
$$ ##$USERP5= <>
$$ ##$WDW= 1
$$ ##$XDIM= 0
$$ ##$YMAX_p= 528929329
$$ ##$YMIN_p= -118776
$$ ##END=
$$ 
##$PARAMETER FILE=	(pulseprogram, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pulseprogram, 0)
$$ # 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ;zg30
$$ ;avance-version (12/01/11)
$$ ;1D sequence
$$ ;using 30 degree flip angle
$$ ;
$$ ;$CLASS=HighRes
$$ ;$DIM=1D
$$ ;$TYPE=
$$ ;$SUBTYPE=
$$ ;$COMMENT=
$$ ;$RECOMMEND=y
$$ 
$$ 
$$ # 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl" 1
$$ ;Avance3.incl
$$ ;   for AV III
$$ ;
$$ ;avance-version (07/12/14)
$$ ;
$$ ;$CLASS=HighRes Incl
$$ ;$COMMENT=
$$ # 165 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl"
$$ ;$Id: Avance3.incl,v 1.9.8.1 2012/01/31 17:56:17 ber Exp $
$$ # 14 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30" 2
$$ 
$$ 
$$ # 17 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ "acqt0=-p1*0.66/3.1416"
$$ 
$$ 
$$ # 1 "mc_line 20 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. def. part of mc cmd. before ze"
$$ define delay MCWRK
$$ define delay MCREST
$$ "MCREST = 30m - 30m"
$$ "MCWRK = 0.333333*30m"
$$ 
$$     dccorr
$$ # 20 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ 1 ze
$$ # 1 "mc_line 20 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. def. of mc cmd. after ze"
$$ # 21 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ # 1 "mc_line 21 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. start label for mc cmd."
$$ 2 MCWRK  * 2
$$ LBLF0, MCWRK
$$   MCREST
$$ # 22 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$   d1
$$   p1*0.33 ph1
$$   go=2 ph31
$$ # 1 "mc_line 25 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. mc cmd. in line"
$$   MCWRK wr #0
$$   MCWRK zd
$$   lo to LBLF0 times td0
$$ 
$$   MCWRK
$$ # 26 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ exit
$$ # 29 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ph1=0 2 2 0 1 3 3 1
$$ ph31=0 2 2 0 1 3 3 1
$$ 
$$ 
$$ ;pl1 : f1 channel - power level for pulse (default)
$$ ;p1 : f1 channel -  90 degree high power pulse
$$ ;d1 : relaxation delay; 1-5 * T1
$$ ;ns: 1 * n, total number of scans: NS * TD0
$$ # 40 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ;$Id: zg30,v 1.11.6.1 2012/01/31 17:56:41 ber Exp $
$$ 
##$PARAMETER FILE=	(title, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/pdata/1/title, 0)
$$ KC1
$$ 
##$PARAMETER FILE=	(uxnmr.par, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/650/uxnmr.par, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 36	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2013-12-19 14:46:10.943 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin3.2/conf/instr/spect/uxnmr.par
$$ $$ process /opt/topspin3.2/prog/mod/confwiring
$$ ##$ACB= 0
$$ ##$ACBTAT= (0..23)
$$ 0 66 66 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTBA= (0..23)
$$ 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTBLK= (0..23)
$$ 0 1 1 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTCTL= (0..23)
$$ 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTDI= (0..23)
$$ 0 102 102 -1779670252 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTDM= (0..23)
$$ 0 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFHI= (0..23)
$$ 0 400 400 62 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFL= (0..23)
$$ 0 73 74 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFLO= (0..23)
$$ 0 9 9 60 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTINP= (0..23)
$$ 0 1 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTOUT= (0..23)
$$ 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTPO= (0..23)
$$ 0 150000 60000 5000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTPW= (0..23)
$$ 0 10 10 1000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTSB= (0..23)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTSDT= (0..23)
$$ 0 -1 -1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTY= <no>
$$ ##$AMPDFLT= no
$$ ##$AQSBDCH= (0..95)
$$ 0 0 0 0 0 0 0 0 0 0 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDHW= (0..95)
$$ 5 1 0 0 0 0 0 0 0 0 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDID= (0..95)
$$ 82 88 83 83 65 86 86 86 66 66 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255
$$ ##$AQSBDNO= (0..95)
$$ 1 1 1 2 1 1 2 3 1 1 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDSL= (0..95)
$$ 2 3 4 4 8 12 14 15 255 1 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255
$$ ##$AQSBDTY= (0..95)
$$ 67 214 50 50 5 148 147 145 217 7 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255
$$ ##$AQSBUAD= (0..95)
$$ 16 52 36 37 54 160 161 162 32 32 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255
$$ ##$AQSECL= (0..95)
$$ 0 2 2 2 9 2 0 1 1 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSECLS= (0..95)
$$ 2 0 2 2 2 0 1 2 0 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSETH1= <no>
$$ ##$AQSETH2= <no>
$$ ##$AQSSPLT= no
$$ ##$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= yes
$$ ##$BACSCAP= 60
$$ ##$BACSDEL= 5
$$ ##$BACSFCM= no
$$ ##$BACSOPT= <>
$$ ##$BACSTY= <tty01>
$$ ##$BARPTY= <no>
$$ ##$BFREQ= 400.05
$$ ##$BGAETH1= <no>
$$ ##$BGAETH2= <no>
$$ ##$BGAETH3= <no>
$$ ##$BGAETH4= <no>
$$ ##$BGAETH5= <no>
$$ ##$BGAETH6= <no>
$$ ##$BGAETH7= <no>
$$ ##$BGAETH8= <no>
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$$ 15 15 15 15 15 15 15 15
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$$ 1 1 1 1 1 1 1 1
$$ ##$CFASMUL= (0..7)
$$ 1 1 1 1 1 1 1 1
$$ ##$CNFTXDR= (0..7)
$$ 6 6 0 0 0 0 0 0
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$$ 0 0 0 0 0 0 0 0
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$$ 9.99999904632568 0
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$$ 2 0
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$$ -1 -1 -1 -1
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$$ -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 -1 -1 -1
$$ ##$RG_tab7= (0..255)
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$$ -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 -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
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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##$OBSERVED INTEGRALS=	(X Y Z)
(7.1815040391339763914, 7.2465699300112857983, 0.962947434361646315)
(7.0050214069667564587, 7.0741275576097155664, 0.94620948411537686429)
(6.7921027022358142489, 6.8415614751785938097, 0.90163640061261740577)
(5.2846312720141845887, 5.4824579655934631006, 5.1250906230829800236)
(2.9135015368833330207, 3.0623002476152700879, 0.97690296644134400061)
(2.7667051238659028378, 2.8768014905013274962, 3.3509633241406815429)
(2.55375493447226809, 2.636374262855096795, 1.9768462912715423219)
(2.2716243847955182034, 2.3575710567092773573, 3.1057818402478885034)
(2.0296834226901947495, 2.1669856851154594146, 3.8219214225858655354)
(1.738709686748359573, 1.8581873419134262715, 2.0006721692943827406)
(1.4151548298576304141, 1.5151837622969295261, 2.6109295348817758153)
(1.355861451882782065, 1.4151548298576304141, 5.7434845160897012306)
(1.2641706612000280785, 1.355861451882782065, 9.2017055001549348248)
(1.1798678970562344048, 1.2641706612000280785, 6.3762207443823024633)
(0.95425578869231963974, 1.0439736312579499522, 2.2986223683690210073)
(0.8614839814438068899, 0.95425578869231963974, 6.6000653799679458444)
##END=	
##TITLE=	Feb27-2020.650.1.1r
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	3
##DATA TYPE=	NMR PEAK TABLE
##DATA CLASS=	PEAK TABLE
##CROSS REFERENCE=	NMR SPECTRUM: BLOCK_ID=2                                     
##.OBSERVE FREQUENCY=	400.05240029848198446
##.OBSERVE NUCLEUS=	^1H
##NPOINTS=	212
##FIRSTX=	0.73503207606066545132
##LASTX=	7.5430426384606334977
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	15414.604838993473095
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
0.73503207606066545132,15414.604838993473095,0.0029741898617958810978
0.75266100372077060499,35303.337389651198464,0.0026197368766501154605
0.76949673259318496221,10885.174401462110836,0.003453038011174746312
0.82443968115092103321,8687.307457502482066,0.002263799158950351078
0.8432364716853095743,20644.720057666745561,0.0024563236224050240611
0.86092677151616991971,17978.134178701780911,0.0030563596894251344148
0.86478878914089951646,9744.8919553691503097,0.0041027980074276179309
0.87687646404045727078,17949.745713018983224,0.0028824036396329238453
0.88398185587605149216,45367.853875842840353,0.0037686350828467054044
0.89251732296593222493,2153162.9899470168166,0.0036676316273101614712
0.89836870294227977318,349541.94584183197003,0.0057919815123546507588
0.90343994471105881772,275585.94546917034313,0.0061137683860297926605
0.91008517936062860443,5843469.7099447362125,0.0029547377427922745519
0.91621626016638724188,841984.6199330475647,0.0029610323684810179942
0.9209295318245481754,607818.58374346140772,0.0066102195149537641694
0.92658587702596917346,1857495.9271163966041,0.0048276592253231392568
0.93348100430612845901,161177.17016474361299,0.0031759835296818854367
0.9387681315775281421,26523.575787517067511,0.0071559460051703101952
0.94632544510052707398,19164.015062560698425,0.0038187166261127855268
0.94942310748484526339,7708.0345235111335569,0.0021547126685623045096
0.95263237619848761817,8108.9525136270704024,0.0035230028174559843181
0.95602975628871644798,14426.394447660786682,0.0072830268372468609864
0.96253318714381130849,20584.077295252296608,0.0051346842782342260597
0.97440083879392069832,7731.4310100815255282,0.0019967276881455594227
0.98381867724902261063,1682683.839991929708,0.0021788989379663927827
0.99000184007156566413,14218.973123550731543,0.0015255645365405312748
0.99643355240638642467,23716.158206954823982,0.0024985176577945354334
1.0026580122327501954,3380123.7486467752606,0.0023772525841455585845
1.0153077960209304642,15347.190589722171353,0.0053291398822375773622
1.0214757568257053499,1729273.3861789186485,0.0022488457055131368112
1.0387749627985625178,2641.8822213095272673,0.0011455267467691309172
1.0429558352297150225,35796.954989168916654,0.002954642989603761729
1.0601075811347546729,36574.346614784415578,0.003042809349384922521
1.0637285575337487309,25745.63521557319109,0.002620879714404726786
1.068752343016609041,8868.9040593689369416,0.0040274424578766723423
1.0869474787634954005,15913.831427908578917,0.0026312395720892683797
1.1052399573499211982,7522.8506097680919993,0.0026728163743844099258
1.1397237334490728511,8924.0061721405218123,0.0023378918446693877468
1.158474288363121385,18967.39828074129764,0.0022678438508744488793
1.1773830498217343621,11319.170367188193268,0.0024754911743678936244
1.1868469461399242526,2951.6552477402074146,0.0021273759768916855259
1.1901073781222026859,5123.154625800220856,0.0010229085055641331994
1.1962390394318824782,77430.011069711079472,0.0021635381739222498722
1.2023657714884790071,8065775.3505775714293,0.0025245447623741413407
1.2195254171900951068,8356161.5140044251457,0.0026180804409002859587
1.2253912333390097888,25790.888290728864376,0.0099737164365944971922
1.2452212311255921318,20890.861570769680839,0.0025254499377917946634
1.2502234979169803974,13928.828126120371962,0.0033214974144088033579
1.2563903821154398521,599298.47488668456208,0.0020767251538578212003
1.2616220056631577418,64853.127470125014952,0.0036769498068587760757
1.2689847884487670537,79260.461628171222401,0.0076908695985537355727
1.2737616114888008489,639338.74252534285188,0.0022630521436143467492
1.2770675318128452691,114321.32411994885479,0.011735280182355381506
1.2849770046531623358,420897.25902348023374,0.0037732817744504701905
1.2882435571668253704,698579.97131840873044,0.0051295089850873923712
1.2918116586427257353,2244970.9148534378037,0.0079193351250420318532
1.2976058976903277475,716989.23927048500627,0.0045601431764020483595
1.3016997394787208631,958897.7142454587156,0.007664549555538181097
1.3113238374964739652,636118.99978763435502,0.0083794246851084022015
1.3172130940980053548,343500.63319758878788,0.0056739981216535782457
1.321148525168695631,170546.20598411059473,0.0053288227762207712387
1.3288851610851364349,667786.94532067666296,0.007723941925023286928
1.3340141456984739854,227883.14950901124394,0.0054183052128571069367
1.3370345790558628707,64870.211824838726898,0.0044659023242006445215
1.3411475694397689828,43507.717551506590098,0.0031533299758654776898
1.3454304169820252568,130499.77604240375513,0.005834853286645355977
1.3499614656705483107,128295.07178593886783,0.0079111765895262965015
1.3693094345162535319,120741.83947589751915,0.002123796397213983337
1.3751979209397375836,692706.05674936145078,0.0094270239444214903174
1.382888167506131305,1149687.6235466161743,0.013197459493706280645
1.392601745022246762,474558.83697941229912,0.011130003375878660954
1.399626654974175155,168589.26725261076353,0.0083843890453422810494
1.4035089974283250225,367010.36390717886388,0.0083050601110735856186
1.4091189497940370678,155313.49139736485085,0.0068051301885475130524
1.4206647811637398426,275232.61531072307844,0.011018605661015064626
1.4304718474187327892,30779.75972015120351,0.0031353123685293098413
1.4375867807102720164,161869.085156527668,0.010545373928354162887
1.4492459149761576231,90053.454748186297365,0.0086252848787610539305
1.4582338065523892112,176122.23758127653855,0.0086252848787610539305
1.4681861915444747169,18855.928348407593148,0.004018765255521410118
1.4740719059341345076,113608.78007874905597,0.011365098669321938712
1.4781158394597877503,5064.8076814999467388,0.018438606317061033424
1.4926858878646849238,28465.944350778507214,0.010874197933544748826
1.5747328130111686306,2908139.9175115725957,0.0027891098755122496235
1.6381640600521809592,15275.726403727538127,0.067573571027772866282
1.7612075611806041753,207841.70988074870547,0.0042182694473436232671
1.7802509500534380305,499645.77814379823394,0.0070666618100317657447
1.7990336068494272581,664248.16612830106169,0.0086252848787610539305
1.8173717649859777445,413105.19501488970127,0.0081873710684270996352
1.8356894674811816692,139694.72205879932153,0.0045747431462769489255
1.8717099207287104523,4059.4622383447617722,0.0040155256954676199488
1.8886925705680901455,4358.8635673583021344,0.0055014474409652422068
1.9087677063257981747,3950.2526475118374947,0.0090996664888599622378
1.9293671237157916654,6522.4370232746068723,0.0066870562762763267189
1.947127850623954215,5816.72246533039106,0.0099099859715173731212
2.0178573132565276183,15764.032255905445709,0.0038554485794499108314
2.0521812971224391298,62934.897498936239572,0.0068162619709116658434
2.0702062084870549441,428711.08853520144476,0.0076370976864199077022
2.0863537898632809053,475950.82013356807875,0.0061129453943965742641
2.0891541726912912225,819554.50926963600796,0.0078524870893790302273
2.1044593997661329432,852571.52070100279525,0.0067533953624992889772
2.1076565041315289406,616239.94655563100241,0.0048235563833646886295
2.1228342282065106872,404171.8950063320226,0.0062361862406816329432
2.1261351988100694044,293590.27370287216036,0.0037279442360323485767
2.1413133823750514217,73565.152414761818363,0.003527409924838253736
2.1444878106832150344,97192.223441756912507,0.0039525679960003470143
2.1749658486487182252,33107.158863122509501,0.0049383738947735567049
2.1969240354455630282,3780.1412071350873703,0.0011485312272903774357
2.2432014023233795008,4926.8143344185982642,0.011435739842295769911
2.2603178606169853637,4747.2996810344766345,0.0073233735321912843061
2.2941222592277625836,313069.5502828778699,0.0040518969515610714013
2.3097589662555413348,30227.993693966094725,0.0050214586421265363161
2.3350731822770329771,5515861.4702497171238,0.0042308598051119849018
2.3818033009480354956,12293.600328992171853,0.0064800750195236423226
2.4140973650700221498,5802.5470012694813704,0.0041172439091511688763
2.433473409382241659,9311.798779870465296,0.0052021620266049012002
2.4518720365106352332,6090.6979363423743052,0.005785840635030338637
2.4916047124731619533,28498.718265410512686,0.0044043977516812849241
2.5762528089045124702,1169844.350672273431,0.0029478235101414005
2.589111657790537091,22678.539915265781019,0.0046136894642090043803
2.5953331700458264208,1728451.0104876928963,0.003912912873360814385
2.6138763884228524148,1028932.1156435437733,0.0030641917730895029681
2.6804145278261395369,5716.6295559851942016,0.0098062584907240620685
2.7349882073929170367,5543.4025035103386472,0.0035881599493275320029
2.7538570331762763921,8287.6635493020858121,0.004116885139545695127
2.789202998298147218,108509.4518625694036,0.0063955644946238985465
2.8045148582124497239,190312.37257513872464,0.0083240049544274722498
2.8242533081023450947,722898.66283966449555,0.0079003909338639464327
2.8394184451297421745,1264198.7610611440614,0.0092694716310846875934
2.854303616069083116,647573.04180980462115,0.0081983291727664650561
2.878466111154177387,21386.239538479614566,0.010026539546697141661
2.9359994113155774009,28167.804663670605805,0.0053014855597594921083
2.953248543228032208,150067.19223790155957,0.004839379622527922864
2.9704748176342694599,368665.32781864301069,0.0046885839694142724537
2.9877709103259948442,485761.18732387723867,0.0041897959513583233476
3.0050332035555928911,354604.13474046415649,0.0046414689738466614541
3.0222800161868121904,135017.02517842070665,0.0047226037851091041617
3.0398023731830257077,21064.468996822848567,0.0043037486470228506971
3.1494160039978447152,9628.7837822127166874,0.0052015893767654985264
3.1669285374987321546,23237.102323691298807,0.0044432733917701954657
3.1841643722829893193,29291.787186770154221,0.0044670522779204644218
3.2013883580917004146,21875.083940918579174,0.0041496698897454014146
3.218734327619497293,8317.5090717988914548,0.0040232992366953388222
3.6916867867707838791,148203.16217805861379,0.0021604650842088446265
3.8658043413981322267,13620.541557487695172,0.0023993602948697168725
4.1406867409179923811,6837.0983003816027122,0.0026541642992882158274
4.158511737999115887,7419.5104969002923099,0.0022970089765532658924
4.1764485550603449582,2751.5756595168099921,0.0024137374585888695701
4.6604453728701686899,58058.147524651605636,0.0068060708803928584437
5.2420169719628084692,2578.2205981248462194,0.0012218481274369065014
5.3071291464464289689,38874.346696519787656,0.0028603787293648447881
5.3109154425959506085,81717.467454879137222,0.0032376229383750958386
5.3145751497088475901,31630.297161209571641,0.0026541642992882158274
5.3251050369275576557,101715.50484189009876,0.0030615465194820620266
5.328568440252776206,146587.055747438455,0.0026963891926581619839
5.3322723755962169179,81977.061843376533943,0.0042195216145357742135
5.337857677183674987,165336.40683824926964,0.0060611150748512265113
5.3422018030489892837,98046.823337242662092,0.0027392370930211058441
5.3453983234365640698,80124.251614122040337,0.0086128380876652407827
5.3517685281035793921,188134.53033232345479,0.0031779669538087081809
5.35553677230477021,357277.0602907530847,0.0039184694361318857594
5.3590912264312393631,229843.71956803507055,0.0039333289460347729133
5.3664166363464440579,113591.38042748271255,0.0041944316966141025407
5.3694742370626871164,264886.63202598935459,0.0036676316273101614712
5.3725019311185864268,206839.35051123274025,0.0034644829116852993676
5.3753709350630227704,114790.34742861581617,0.0041696673206061841271
5.3792337180742419989,549091.24128561501857,0.0033819165983589158028
5.3834679696729894616,311234.41381412721239,0.0023200642830672837426
5.3862105816849279449,618521.24946360127069,0.0045418473702946273243
5.3882967495538292013,238521.36228078597924,0.0023867571357144056268
5.3928934801342229832,1330097.7304880272131,0.0029562641350916281022
5.3984200904265211562,754050.97824290255085,0.0061986807488377581102
5.4022861600317888531,416988.14321012061555,0.0025557454139252234158
5.4068155120782801504,442630.00122274487512,0.0040767184312174298277
5.4119223107898344338,762737.47472568065859,0.0036676316273101614712
5.4153944668712181709,282174.39259239932289,0.0029317002824118497395
5.4194230802697589411,123302.47006207428058,0.0066037850967684396525
5.4257100143212859678,176198.30416961899027,0.0043187836325558571701
5.4293281121573233605,318659.43063206935767,0.0035656752244795433815
5.4332201902026593388,157990.00606235928717,0.0044381373911849628794
5.438634278049309323,264292.09257951291511,0.0036676316273101614712
5.4422198145506941458,152351.68624306889251,0.0027985142169818662781
5.4462770158538091891,18995.332198726559,0.0020031772429438643272
5.4526242716972985747,46404.693975167319877,0.0039169431300873800914
5.4562675277638232885,141975.48920263155014,0.0038569868801901483792
5.4599600911612187204,63871.885776935967442,0.0022454764551357603991
5.5686591755236438672,2728.8579006255158674,0.0017675713437587173543
6.5919855483894096437,41452.190941023422056,0.0045277585844593608994
6.5961871251357084844,44770.238042480828881,0.0050428723945469249718
6.616562897659391318,4672.6739318465361066,0.0092486411491176524075
6.7420799863610110236,24421.54746297985912,0.0063893319779851874551
6.7620399928801369072,27639.244146257835382,0.0094408410442852787325
6.8146005766680586291,839449.01318449806422,0.004148626872252061254
6.8190636007463494295,710132.54555261309724,0.0043377171732472911275
6.8492871110402928636,6181.0938685657210954,0.0086252848787610539305
7.0200357472296959216,13780.42528081556884,0.0014639658181400379364
7.0275192813990008389,357268.87635751371272,0.0059090770902559628525
7.0319666807898819627,302312.77554188045906,0.0045589238861272786407
7.0472142776652324514,451179.89094102632953,0.0057398077688145228772
7.0516296831774711862,371138.58071280946024,0.0046945773132567383823
7.0925316108635980683,55448.701078218422481,0.0037158300190035008573
7.1118060292520119958,50848.828310176715604,0.0039765693458533651547
7.1427604279951140143,2776.1893714747407103,0.0021831140638750965062
7.1918976939635470558,8704.190258196897048,0.0035683561039298356161
7.2040019135662207717,1108683.2254125245381,0.0036117292416671699373
7.2240720555790414181,860999.62861211283598,0.0034327218980715681895
7.2840074613829610684,3215595.4017300121486,0.0017430043068949335489
7.2977496174419336228,9140.2498325492160802,0.036795644036603666893
7.3685512538617068401,32165.516318436071742,0.001984076747667211111
7.397193179950316555,6293.4910216804801166,0.0038924070707199477648
7.417196816411006921,4609.3523252598024555,0.0037158300190035008573
7.5430426384606334977,16618.848850183654577,0.0019004845071637808344
##$MNOVA/PEAK_DATA_TABLE=	(T,F,A,ST,SP,APT,APC)
$$ Complementary to PEAK TABLE
$$ T: Type
$$ F: Flags
$$ A: Annotation
$$ ST: Shape Type
$$ SP: Shape Parameter
$$ APT: Attached Peaks Type
$$ APC: Attached Peaks Count
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.36297198691656795688,0,0
Impurity,Artifact|Weak,,1,0.0013430563052426319759,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.93625527970408117806,0,0
Impurity,Artifact|Weak,,1,0.35961723598683353886,0,0
Artifact,Artifact|Weak,,1,0.29609077941185890648,0,0
Artifact,Artifact|Weak,,1,0.57255057765038142037,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.14363856814815917362,0,0
Compound,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,0.23632731754872082774,0,0
Compound,None,,1,-0.37576114095836626872,0,0
Compound,None,,1,-0.85972156343989114546,0,0
Compound,None,,1,-0.064816538586068395134,0,0
Compound,None,,1,0.2038966280205922188,0,0
Compound,None,,1,1.2156255311622932158,0,0
Compound,None,,1,-0.0022163064181658850837,0,0
Compound,None,,1,0.89712915904997159178,0,0
Artifact,Artifact|Weak,,1,0.70426638380623873825,0,0
Artifact,Artifact|Weak,,1,-0.060507141072223213918,0,0
Artifact,Artifact|Weak,,1,0.77168290104479853042,0,0
Artifact,Artifact|Weak,,1,-0.47786590635679293548,0,0
Artifact,Artifact|Weak,,1,-0.81958450808793459341,0,0
Compound,Artifact|Weak,,1,0.12035945605146980419,0,0
Artifact,Artifact|Weak,,1,-0.82537026104624788836,0,0
Compound,None,,1,0.88461963089642392521,0,0
Artifact,Artifact|Weak,,1,-0.45479575354453011249,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.9404083924007826667,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.81947094935233821822,0,0
Artifact,Artifact|Weak,,1,-0.079273017323500061249,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.013077929251873010585,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.3706053715364032719,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.44112298051973652946,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.44878005030260487151,0,0
Impurity,Artifact|Weak,,1,0.30005466213507170359,0,0
Impurity,Artifact|Weak,,1,0.096201312529989979616,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.95371780264832795027,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.97531561485097628683,0,0
Artifact,Artifact|Weak,,1,0.49820309673259111083,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.7999999999999998224,0,0
Artifact,Artifact|Weak,,1,1.7196597468455563362,0,0
Compound,None,,1,0.21893672079558587629,0,0
Compound,None,,1,0.69930859622884544713,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,0.26565145698144432274,0,0
Artifact,Artifact|Weak,,1,0.60000000000000008882,0,0
Compound,None,,1,0.50402397747495131242,0,0
Compound,None,,1,1.999999999999999778,0,0
Compound,None,,1,1,0,0
Compound,None,,1,-0.82641571078135434014,0,0
Compound,None,,1,0.81499644899695844469,0,0
Compound,None,,1,-0.54345172729514268362,0,0
Compound,None,,1,-0.77122119520002152537,0,0
Compound,None,,1,-0.18549174923263112014,0,0
Compound,None,,1,0.19564678017652298303,0,0
Compound,None,,1,-0.31437277532809804192,0,0
Compound,None,,1,0.72347307471759114694,0,0
Compound,None,,1,0.47675087048628295161,0,0
Compound,None,,1,1.1999999999999999556,0,0
Compound,None,,1,0.48221898436540361343,0,0
Compound,None,,1,-0.81118301386075897241,0,0
Compound,None,,1,-0.021819704847915177837,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.81093981969988881975,0,0
Compound,None,,1,-0.36492375065800514156,0,0
Compound,None,,1,0,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.30729908683170586992,0,0
Compound,None,,1,-0.39189951589332344684,0,0
Compound,None,,1,0.34107344774184722436,0,0
Compound,None,,1,-0.27534017495393875441,0,0
Compound,None,,1,0.21006166380904806035,0,0
Compound,None,,1,-0.42453732668537996764,0,0
Compound,None,,1,1.98932572265242813,0,0
Compound,None,,1,-0.47374830333941397864,0,0
Compound,Artifact|Weak,,1,1.3999999999999999112,0,0
Compound,None,,1,0.45998345268278428843,0,0
Compound,None,,1,0.82236443879350307196,0,0
Compound,None,,1,-0.37941816289977531307,0,0
Impurity,Artifact|Weak,,1,1.9015247036348159604,0,0
Compound,None,,1,-0.16470453803315582286,0,0
Artifact,Artifact|Weak,,1,1,0,0
Compound,Artifact|Weak,,1,1.8656091634117548672,0,0
Solvent,2ry Solvent,,1,0.30563026913030438836,0,0
Impurity,None,,1,-1,0,0
Compound,None,,1,0.30069103715007455824,0,0
Compound,None,,1,0.23175342651469849065,0,0
Compound,None,,1,-0.25110466874081638355,0,0
Compound,None,,1,0.22633581594181878538,0,0
Compound,None,,1,0.36802929144440788001,0,0
Artifact,Artifact|Weak,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.0039947575523337219838,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.43790362565081614177,0,0
Impurity,Artifact|Weak,,1,-0.1101778989607185566,0,0
Compound,None,,1,0.93698561977546790391,0,0
Compound,None,,1,0.56803446781178767999,0,0
Compound,None,,1,1.5034737138418745594,0,0
Compound,None,,1,-0.88731691627869735406,0,0
Compound,None,,1,0.051547417443404075499,0,0
Compound,None,,1,-0.9771067058037863351,0,0
Compound,None,,1,0.32111101622742993511,0,0
Compound,None,,1,0.61408125370583377389,0,0
Compound,None,,1,0.63776036806980762606,0,0
Compound,None,,1,0.88476730719385621171,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.12923747155089521099,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.63834004986890358069,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.80000000000000004441,0,0
Compound,None,,1,0.65069057365599070053,0,0
Artifact,Artifact|Weak,,1,-0.81576483810007704989,0,0
Compound,None,,1,0.97944769503057949045,0,0
Artifact,Artifact|Weak,,1,0.60000000000000008882,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.2000000000000000111,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.87000568884452600393,0,0
Impurity,Artifact|Weak,,1,-7.3002920101532253749e-05,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1,0,0
Compound,None,,1,0.20004326836160052361,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.23170707366394016624,0,0
Compound,None,,1,0.37711862838160886691,0,0
Impurity,Artifact|Weak,,1,0.028366565445665084533,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.73396333828088078377,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.2000000000000000111,0,0
Compound,None,,1,0.20000000000000006661,0,0
Compound,None,,1,0.87128686566325597163,0,0
Compound,None,,1,0.62551074028848407949,0,0
Compound,None,,1,0.13690876185148476152,0,0
Compound,None,,1,0.86483518458600583401,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Weak,,1,-0.01780797328128425755,0,0
Compound,None,,1,0.48469427954619132004,0,0
Compound,None,,1,0.75757554562304574297,0,0
Compound,None,,1,0.45455142737454357071,0,0
Compound,None,,1,0.5605671565562804215,0,0
Compound,None,,1,0.798821532496880371,0,0
Compound,Artifact|Weak,,1,0.33227106549534562996,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,0.11861116215096279003,0,0
Impurity,Artifact|Weak,,1,0.51991215756831299366,0,0
Impurity,Artifact|Weak,,1,0.7416220883067091707,0,0
Impurity,Artifact|Weak,,1,5.5511151231257827021e-17,0,0
Impurity,None,,1,1,0,0
Impurity,Artifact|Weak,,1,0.56183635549524035824,0,0
Impurity,Artifact|Weak,,1,0.097080774747192302709,0,0
Impurity,Artifact|Weak,,1,0.16137319085323326151,0,0
Artifact,Artifact|Weak,,1,0.97163952877161319233,0,0
Impurity,None,,1,1.2909993098576109105,0,0
Artifact,Artifact|Weak,,1,-0.6183542896717202364,0,0
Compound,Artifact|Weak,,1,0.30767304369212561399,0,0
Compound,None,,1,-0.10962525637626531483,0,0
Compound,Artifact|Weak,,1,0.42830508603934708267,0,0
Compound,None,,1,-0.42717284080011580505,0,0
Compound,None,,1,0.40172990107601164178,0,0
Compound,None,,1,0.40297963027690747451,0,0
Compound,None,,1,0.18495255845625754865,0,0
Compound,None,,1,1.4016798716309530892,0,0
Compound,None,,1,1.9001133554680893489,0,0
Compound,None,,1,-0.070529539069446547939,0,0
Compound,None,,1,-0.63511228902296601451,0,0
Compound,None,,1,-0.016849224777838678335,0,0
Compound,None,,1,-0.41653083783935407336,0,0
Compound,None,,1,-0.58453642774489311673,0,0
Compound,None,,1,-0.028115074366018594221,0,0
Compound,None,,1,-1,0,0
Compound,None,,1,-0.36703150845079107745,0,0
Compound,None,,1,0.56185042808398744096,0,0
Compound,None,,1,-0.22699438576092179076,0,0
Compound,None,,1,0.24123858239730991415,0,0
Compound,None,,1,0.22540339393690173031,0,0
Compound,None,,1,0.61228285258222869825,0,0
Compound,None,,1,0.22522524359258708215,0,0
Compound,None,,1,1.0354943935542726408,0,0
Compound,None,,1,0.40066360417592178367,0,0
Compound,None,,1,0.52744080715498831147,0,0
Compound,None,,1,-0.24525287976833759496,0,0
Compound,None,,1,-0.30708079943911814613,0,0
Compound,None,,1,-0.46901438322903843403,0,0
Compound,None,,1,0.019418043217082538859,0,0
Compound,None,,1,0.047294184702187463953,0,0
Compound,None,,1,0.31156590604362294217,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,-0.37037566177426051173,0,0
Compound,None,,1,0,0,0
Compound,None,,1,0.92396142382491985856,0,0
Artifact,Artifact|Weak,,1,-0.02371882805455590576,0,0
Impurity,Artifact|Weak,,1,1.2976709209096544129,0,0
Impurity,None,,1,1.6870030861863936078,0,0
Impurity,Artifact|Weak,,1,1.4261465539680415748,0,0
Impurity,Artifact|Weak,,1,1.8796256805395097356,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,0.055088810407370070177,0,0
Compound,None,,1,1.4119330116224053651,0,0
Impurity,Artifact|Weak,,1,1.7999999999999998224,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,1.999999999999999778,0,0
Compound,None,,1,1.3221292804108752961,0,0
Compound,None,,1,0.72948179932059975528,0,0
Compound,None,,1,1.2931328468367375706,0,0
Compound,None,,1,1.2588620626996622764,0,0
Impurity,None,,1,1,0,0
Impurity,None,,1,0.89425906028697510486,0,0
Artifact,Artifact|Weak,,1,-0.84981872102614508524,0,0
Artifact,Artifact|Weak,,1,1.6907591520681588548,0,0
Compound,None,,1,1.1120779782610026309,0,0
Compound,None,,1,0.093539313267363366489,0,0
Solvent,None,,1,0.87567146229261105805,0,0
Artifact,Artifact|Weak,,1,1.2442246777056695795,0,0
Impurity,Artifact|Weak,,1,0.21501345216768741331,0,0
Impurity,Artifact|Weak,,1,-0.22022226023214028223,0,0
Impurity,Artifact|Weak,,1,-0.079941016716855162194,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,0.79721513808373833943,0,0
##END=	
##END=	
