Mon Jul 04 16:45:40.518 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:40.520 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F1_OS_Plate05_F1\1\pdata\1
Mon Jul 04 16:45:40.528 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:40.532 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:40.535 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:40.667 CEST 2022: No HSQC data available
Mon Jul 04 16:45:40.681 CEST 2022: No C13 data available
Mon Jul 04 16:45:40.694 CEST 2022: No HMBC data available
Mon Jul 04 16:45:40.701 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:45:40.740 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 16:45:40.899 CEST 2022: Structure is used: true
Mon Jul 04 16:45:40.916 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F1_OS_Plate05_F1/1/1_OS_Plate05_F1.mol
Mon Jul 04 16:45:40.918 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:45:40.989 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:40.992 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:45:40.995 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:40.997 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:41.000 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:41.002 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:41.004 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:41.009 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:41.011 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:41.014 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:41.017 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:41.019 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 16:45:41.022 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:41.024 CEST 2022: RMSD noise: 29820500.956 (-2.860/-3.360)
Mon Jul 04 16:45:41.027 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:41.030 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:41.034 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:41.059 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:41.146 CEST 2022: Number of Peaks: (79, 9)
Mon Jul 04 16:45:41.149 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:45:41.152 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:41.171 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:45:41.174 CEST 2022: Signal-to-Noise ratio: 2084.38 (3.742 ppm)
Mon Jul 04 16:45:41.177 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:41.180 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:41.182 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:45:41.197 CEST 2022: Number of Multiplets: 116
Mon Jul 04 16:45:41.200 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:45:41.246 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:45:41.253 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:45:41.264 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:45:41.395 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:45:41.402 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:45:41.407 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:41.412 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:45:41.414 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:41.417 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:41.482 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:45:41.627 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon Jul 04 16:45:41.681 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:42.058 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:45:42.079 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:42.081 CEST 2022: CMC-q finished in 1.56 s.
