Mon Jul 04 16:40:52.239 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:52.242 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E3_OS_Plate04_E3\1\pdata\1
Mon Jul 04 16:40:52.249 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:52.253 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:52.256 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:52.719 CEST 2022: No HSQC data available
Mon Jul 04 16:40:52.730 CEST 2022: No C13 data available
Mon Jul 04 16:40:52.740 CEST 2022: No HMBC data available
Mon Jul 04 16:40:52.748 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:40:52.770 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:40:52.872 CEST 2022: Structure is used: true
Mon Jul 04 16:40:52.891 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E3_OS_Plate04_E3/1/E3_OS_Plate04_E3-4eb499e3-6671-4a72-8782-18c938fb2ed6.mol
Mon Jul 04 16:40:52.893 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:40:52.904 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:52.907 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:52.910 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:52.913 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:52.916 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:52.918 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:52.921 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:52.925 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:52.928 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:52.931 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:52.934 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:52.936 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 16:40:52.938 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:52.941 CEST 2022: RMSD noise: 29134837.058 (12.669/12.169)
Mon Jul 04 16:40:52.944 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:52.947 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:52.951 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:52.974 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:53.063 CEST 2022: Number of Peaks: (67, 12)
Mon Jul 04 16:40:53.066 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:40:53.069 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:53.167 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:40:53.170 CEST 2022: Signal-to-Noise ratio: 6446.58 (2.243 ppm)
Mon Jul 04 16:40:53.173 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:53.175 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:53.177 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:40:53.193 CEST 2022: Number of Multiplets: 102
Mon Jul 04 16:40:53.196 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:40:53.241 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:40:53.246 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:40:53.262 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:40:53.404 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:40:53.409 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:53.414 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:53.418 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:40:53.421 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:53.424 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:40:53.428 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:40:53.439 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:40:53.489 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:40:53.858 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:40:53.879 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:53.881 CEST 2022: CMC-q finished in 1.64 s.
