Mon Jul 04 16:09:38.822 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:09:38.825 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D1_OS_Plate01_D1\1\pdata\1
Mon Jul 04 16:09:38.833 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:09:38.837 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:09:38.839 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:09:38.897 CEST 2022: No HSQC data available
Mon Jul 04 16:09:38.911 CEST 2022: No C13 data available
Mon Jul 04 16:09:38.924 CEST 2022: No HMBC data available
Mon Jul 04 16:09:38.942 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:09:38.992 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon Jul 04 16:09:39.135 CEST 2022: Structure is used: true
Mon Jul 04 16:09:39.152 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D1_OS_Plate01_D1/1/D1_OS_Plate1_D1-91d2ae98-ef18-4962-b902-070f1c71f198.mol
Mon Jul 04 16:09:39.155 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:09:39.166 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:09:39.168 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:09:39.171 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:09:39.173 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:09:39.176 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:09:39.178 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:09:39.180 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:09:39.185 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:09:39.187 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:09:39.190 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:09:39.192 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:09:39.195 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 16:09:39.197 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:09:39.200 CEST 2022: RMSD noise: 30886255.795 (11.851/11.352)
Mon Jul 04 16:09:39.202 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:09:39.205 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:09:39.209 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:09:39.233 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:09:39.363 CEST 2022: Number of Peaks: (95, 30)
Mon Jul 04 16:09:39.366 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:09:39.369 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:09:39.425 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:09:39.427 CEST 2022: Signal-to-Noise ratio: 4883.00 (3.740 ppm)
Mon Jul 04 16:09:39.430 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:09:39.433 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:39.435 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:09:39.472 CEST 2022: Number of Multiplets: 168
Mon Jul 04 16:09:39.475 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:09:39.529 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:09:39.536 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:09:39.546 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:09:39.719 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:09:39.723 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:09:39.727 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:09:39.732 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:09:39.734 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:09:39.737 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:09:39.772 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:09:42.290 CEST 2022: Elapsed time for evaluation (IN Suite): 2.52 s.
Mon Jul 04 16:09:42.343 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:09:42.708 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:09:42.729 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:42.731 CEST 2022: CMC-q finished in 3.91 s.
