Mon Jul 04 16:24:20.660 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:24:20.663 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D1_OS_Plate012_D1\1\pdata\1
Mon Jul 04 16:24:20.671 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:24:20.675 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:24:20.677 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:24:20.708 CEST 2022: No HSQC data available
Mon Jul 04 16:24:20.720 CEST 2022: No C13 data available
Mon Jul 04 16:24:20.731 CEST 2022: No HMBC data available
Mon Jul 04 16:24:20.739 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:24:20.760 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:24:20.908 CEST 2022: Structure is used: true
Mon Jul 04 16:24:20.911 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D1_OS_Plate012_D1/1/D1_OS_Plate12_D1-79905a53-4678-4a07-bc8c-31d9de4d360a.mol
Mon Jul 04 16:24:20.913 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:24:20.924 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:24:20.926 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:24:20.929 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:24:20.932 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:24:20.934 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:24:20.936 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:24:20.938 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:24:20.943 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:24:20.946 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:24:20.948 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:24:20.951 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:24:20.953 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 16:24:20.956 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:24:20.958 CEST 2022: RMSD noise: 28623093.786 (12.669/12.169)
Mon Jul 04 16:24:20.964 CEST 2022: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon Jul 04 16:24:20.967 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:24:20.971 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:24:20.995 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:24:21.095 CEST 2022: Number of Peaks: (92, 17)
Mon Jul 04 16:24:21.118 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:24:21.121 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:24:21.199 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:24:21.203 CEST 2022: Signal-to-Noise ratio: 2370.14 (7.308 ppm)
Mon Jul 04 16:24:21.206 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:24:21.208 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:21.211 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:24:21.236 CEST 2022: Number of Multiplets: 189
Mon Jul 04 16:24:21.239 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:24:21.294 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:24:21.299 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:24:21.314 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:24:21.444 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:24:21.453 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:24:21.458 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:24:21.462 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:24:21.464 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:24:21.467 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:24:21.645 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Mon Jul 04 16:24:21.856 CEST 2022: Elapsed time for evaluation (IN Suite): 0.21 s.
Mon Jul 04 16:24:21.905 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:24:22.247 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:24:22.250 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:22.253 CEST 2022: CMC-q finished in 1.59 s.
