Mon Jul 04 16:12:16.682 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:12:16.684 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F7_OS_Plate01_F7\1\pdata\1
Mon Jul 04 16:12:16.692 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:12:16.695 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:12:16.698 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:12:16.764 CEST 2022: No HSQC data available
Mon Jul 04 16:12:16.775 CEST 2022: No C13 data available
Mon Jul 04 16:12:16.786 CEST 2022: No HMBC data available
Mon Jul 04 16:12:16.797 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:12:16.816 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:12:16.941 CEST 2022: Structure is used: true
Mon Jul 04 16:12:16.958 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F7_OS_Plate01_F7/1/F7_OS_Plate1_F7-caa99be9-80bc-4749-aab1-fe14525200cb.mol
Mon Jul 04 16:12:16.961 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:12:16.967 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:12:16.969 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:12:16.972 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:12:16.974 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:12:16.977 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:12:16.979 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:12:16.981 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:12:16.986 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:12:16.988 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:12:16.991 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:12:16.994 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:12:16.996 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 16:12:16.999 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:12:17.001 CEST 2022: RMSD noise: 29134819.054 (-2.860/-3.359)
Mon Jul 04 16:12:17.004 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:12:17.007 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:12:17.011 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:12:17.034 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:12:17.139 CEST 2022: Number of Peaks: (80, 17)
Mon Jul 04 16:12:17.142 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:12:17.145 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:12:17.202 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:12:17.205 CEST 2022: Signal-to-Noise ratio: 4234.34 (2.212 ppm)
Mon Jul 04 16:12:17.208 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:12:17.211 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:17.213 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:12:17.247 CEST 2022: Number of Multiplets: 157
Mon Jul 04 16:12:17.250 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:12:17.302 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:12:17.308 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:12:17.320 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:12:17.480 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:12:17.490 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:12:17.495 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:12:17.499 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:12:17.501 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:17.504 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:12:19.388 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.88 s.
Mon Jul 04 16:12:19.683 CEST 2022: Elapsed time for evaluation (IN Suite): 0.28 s.
Mon Jul 04 16:12:19.732 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:12:20.078 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:12:20.081 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:20.084 CEST 2022: CMC-q finished in 3.40 s.
