Mon Jul 04 16:47:46.464 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:46.466 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C6_OS_Plate05_C6\1\pdata\1
Mon Jul 04 16:47:46.474 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:46.477 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:46.480 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:46.507 CEST 2022: No HSQC data available
Mon Jul 04 16:47:46.518 CEST 2022: No C13 data available
Mon Jul 04 16:47:46.530 CEST 2022: No HMBC data available
Mon Jul 04 16:47:46.537 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:47:46.559 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:47:46.688 CEST 2022: Structure is used: true
Mon Jul 04 16:47:46.691 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C6_OS_Plate05_C6/1/6_OS_Plate05_C6.mol
Mon Jul 04 16:47:46.694 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:47:46.716 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:46.718 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:47:46.721 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:46.724 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:46.728 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:46.730 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:46.732 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:46.737 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:46.739 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:47:46.742 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:46.745 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:46.747 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 16:47:46.749 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:46.751 CEST 2022: RMSD noise: 28405954.318 (-2.860/-3.360)
Mon Jul 04 16:47:46.754 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:46.757 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:46.761 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:46.786 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:46.877 CEST 2022: Number of Peaks: (72, 15)
Mon Jul 04 16:47:46.881 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:47:46.883 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:46.954 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:47:46.957 CEST 2022: Signal-to-Noise ratio: 1462.29 (2.869 ppm)
Mon Jul 04 16:47:46.960 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:46.962 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:46.965 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:47:46.982 CEST 2022: Number of Multiplets: 130
Mon Jul 04 16:47:46.985 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:47:47.033 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:47:47.040 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:47:47.053 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:47:47.186 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:47:47.222 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:47:47.227 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:47.231 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:47:47.233 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:47.236 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:47.254 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:47:47.448 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:47:47.499 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:47:47.863 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:47:47.866 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:47.869 CEST 2022: CMC-q finished in 1.41 s.
