Mon Jul 04 16:40:05.996 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:05.999 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E1_OS_Plate04_E1\1\pdata\1
Mon Jul 04 16:40:06.006 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:06.010 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:06.013 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:06.408 CEST 2022: No HSQC data available
Mon Jul 04 16:40:06.421 CEST 2022: No C13 data available
Mon Jul 04 16:40:06.434 CEST 2022: No HMBC data available
Mon Jul 04 16:40:06.442 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:40:06.463 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:40:06.572 CEST 2022: Structure is used: true
Mon Jul 04 16:40:06.591 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E1_OS_Plate04_E1/1/E1_OS_Plate04_E1-38de4497-03ca-41bf-a343-46ca3d95b000.mol
Mon Jul 04 16:40:06.594 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:40:06.655 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:06.658 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.06 s.
Mon Jul 04 16:40:06.661 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:06.664 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:06.666 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:06.668 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:06.671 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:06.675 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:06.677 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:06.680 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:06.683 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:06.685 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 16:40:06.687 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:06.690 CEST 2022: RMSD noise: 29430895.531 (-2.860/-3.359)
Mon Jul 04 16:40:06.692 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:06.695 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:06.699 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:06.724 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:06.809 CEST 2022: Number of Peaks: (79, 24)
Mon Jul 04 16:40:06.812 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:40:06.815 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:06.986 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.17 s.
Mon Jul 04 16:40:06.989 CEST 2022: Signal-to-Noise ratio: 3600.51 (2.197 ppm)
Mon Jul 04 16:40:06.992 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:06.995 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:06.997 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon Jul 04 16:40:07.016 CEST 2022: Number of Multiplets: 110
Mon Jul 04 16:40:07.019 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:40:07.058 CEST 2022: Number of Peak Cluster: 22
Mon Jul 04 16:40:07.064 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:40:07.079 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:40:07.214 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:40:07.237 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:40:07.242 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:07.247 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:40:07.249 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:07.253 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:40:07.421 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.16 s.
Mon Jul 04 16:40:09.018 CEST 2022: Elapsed time for evaluation (IN Suite): 1.59 s.
Mon Jul 04 16:40:09.071 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:40:09.441 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:40:09.444 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:09.446 CEST 2022: CMC-q finished in 3.45 s.
