Mon Jul 04 16:09:43.498 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:09:43.501 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E1_OS_Plate01_E1\1\pdata\1
Mon Jul 04 16:09:43.508 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:09:43.511 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:09:43.514 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:09:43.547 CEST 2022: No HSQC data available
Mon Jul 04 16:09:43.561 CEST 2022: No C13 data available
Mon Jul 04 16:09:43.574 CEST 2022: No HMBC data available
Mon Jul 04 16:09:43.586 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:09:43.607 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:09:43.782 CEST 2022: Structure is used: true
Mon Jul 04 16:09:43.785 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E1_OS_Plate01_E1/1/E1_OS_Plate1_E1-36e68b62-7708-4279-9ecf-a1730bed6287.mol
Mon Jul 04 16:09:43.787 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:09:43.799 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:09:43.801 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:09:43.804 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:09:43.806 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:09:43.809 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:09:43.811 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:09:43.813 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:09:43.817 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:09:43.820 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:09:43.823 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:09:43.825 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:09:43.828 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 16:09:43.830 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:09:43.832 CEST 2022: RMSD noise: 29935641.423 (-0.405/-0.905)
Mon Jul 04 16:09:43.835 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:09:43.837 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:09:43.841 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:09:43.865 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:09:43.988 CEST 2022: Number of Peaks: (114, 18)
Mon Jul 04 16:09:43.991 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:09:43.994 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:09:44.061 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:09:44.064 CEST 2022: Signal-to-Noise ratio: 4830.78 (0.916 ppm)
Mon Jul 04 16:09:44.067 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:09:44.069 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:44.072 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:09:44.103 CEST 2022: Number of Multiplets: 144
Mon Jul 04 16:09:44.126 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon Jul 04 16:09:44.193 CEST 2022: Number of Peak Cluster: 33
Mon Jul 04 16:09:44.199 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:09:44.212 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:09:44.369 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:09:44.378 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:09:44.383 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:09:44.387 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:09:44.390 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:09:44.392 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:09:46.096 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.70 s.
Mon Jul 04 16:09:46.402 CEST 2022: Elapsed time for evaluation (IN Suite): 0.30 s.
Mon Jul 04 16:09:46.485 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:09:46.488 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:09:46.847 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:09:46.850 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:46.852 CEST 2022: CMC-q finished in 3.35 s.
