Mon Jul 04 16:52:11.200 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:11.202 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E6_OS_Plate06_E6\1\pdata\1
Mon Jul 04 16:52:11.209 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:11.213 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:11.216 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:11.713 CEST 2022: No HSQC data available
Mon Jul 04 16:52:11.724 CEST 2022: No C13 data available
Mon Jul 04 16:52:11.735 CEST 2022: No HMBC data available
Mon Jul 04 16:52:11.749 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:52:11.833 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.08 s.
Mon Jul 04 16:52:11.928 CEST 2022: Structure is used: true
Mon Jul 04 16:52:11.949 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E6_OS_Plate06_E6/1/E6_OS_Plate06_E6-d82aa5f0-f9d3-41fb-9728-2ba8e96b70fd.mol
Mon Jul 04 16:52:11.951 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:52:12.018 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:12.021 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:52:12.024 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:12.026 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:12.028 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:12.031 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:12.033 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:12.037 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:12.040 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:12.042 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:12.045 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:12.047 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 16:52:12.050 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:12.052 CEST 2022: RMSD noise: 29941324.961 (10.217/9.717)
Mon Jul 04 16:52:12.054 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:12.057 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:12.061 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:12.084 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:12.286 CEST 2022: Number of Peaks: (167, 18)
Mon Jul 04 16:52:12.289 CEST 2022: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon Jul 04 16:52:12.292 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:12.305 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:52:12.308 CEST 2022: Signal-to-Noise ratio: 22354.80 (3.199 ppm)
Mon Jul 04 16:52:12.311 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:12.313 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:12.315 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.36 s.
Mon Jul 04 16:52:12.393 CEST 2022: Number of Multiplets: 287
Mon Jul 04 16:52:12.396 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon Jul 04 16:52:12.469 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:52:12.475 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:52:12.494 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:52:12.746 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.25 s.
Mon Jul 04 16:52:12.778 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:52:12.782 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:12.786 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:52:12.789 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:12.792 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:12.800 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:52:12.823 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon Jul 04 16:52:12.871 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:52:13.217 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:52:13.220 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:13.222 CEST 2022: CMC-q finished in 2.02 s.
