Mon Jul 04 16:52:18.355 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:18.358 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H6_OS_Plate06_H6\1\pdata\1
Mon Jul 04 16:52:18.366 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:18.369 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:18.372 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:18.400 CEST 2022: No HSQC data available
Mon Jul 04 16:52:18.410 CEST 2022: No C13 data available
Mon Jul 04 16:52:18.420 CEST 2022: No HMBC data available
Mon Jul 04 16:52:18.428 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:52:18.446 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:52:18.531 CEST 2022: Structure is used: true
Mon Jul 04 16:52:18.551 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H6_OS_Plate06_H6/1/H6_OS_Plate06_H6-55b0fed6-347a-4ed6-8096-dfacb6f4fec6.mol
Mon Jul 04 16:52:18.553 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:52:18.560 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:18.562 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:18.565 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:18.567 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:18.570 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:18.572 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:18.575 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:18.579 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:18.582 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:18.585 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:18.587 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:18.590 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:52:18.592 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:18.595 CEST 2022: RMSD noise: 29458895.735 (-2.860/-3.359)
Mon Jul 04 16:52:18.597 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:18.600 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:18.604 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:18.628 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:18.740 CEST 2022: Number of Peaks: (104, 25)
Mon Jul 04 16:52:18.743 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:52:18.746 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:18.762 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:52:18.764 CEST 2022: Signal-to-Noise ratio: 53262.67 (3.684 ppm)
Mon Jul 04 16:52:18.767 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:18.770 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:18.772 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:52:18.793 CEST 2022: Number of Multiplets: 135
Mon Jul 04 16:52:18.796 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:52:18.880 CEST 2022: Number of Peak Cluster: 46
Mon Jul 04 16:52:18.886 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 16:52:18.890 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:52:19.047 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:52:19.060 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:52:19.067 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:19.070 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:52:19.073 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:19.075 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:19.081 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:52:19.091 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:52:19.144 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:52:19.147 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:52:19.495 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:52:19.517 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:19.520 CEST 2022: CMC-q finished in 1.17 s.
