Mon Jul 04 16:47:07.923 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:07.926 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B5_OS_Plate05_B5\1\pdata\1
Mon Jul 04 16:47:07.933 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:07.937 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:07.939 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:07.978 CEST 2022: No HSQC data available
Mon Jul 04 16:47:07.990 CEST 2022: No C13 data available
Mon Jul 04 16:47:08.002 CEST 2022: No HMBC data available
Mon Jul 04 16:47:08.009 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:47:08.029 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:47:08.138 CEST 2022: Structure is used: true
Mon Jul 04 16:47:08.141 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B5_OS_Plate05_B5/1/5_OS_Plate05_B5.mol
Mon Jul 04 16:47:08.144 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:47:08.156 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:08.159 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:47:08.162 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:08.165 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:08.167 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:08.169 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:08.172 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:08.176 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:08.178 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:47:08.181 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:08.183 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:08.186 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 16:47:08.188 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:08.190 CEST 2022: RMSD noise: 28940536.910 (-2.040/-2.540)
Mon Jul 04 16:47:08.193 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:08.196 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:08.200 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:08.224 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:08.318 CEST 2022: Number of Peaks: (72, 19)
Mon Jul 04 16:47:08.347 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:47:08.349 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:08.362 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:47:08.364 CEST 2022: Signal-to-Noise ratio: 3207.93 (1.445 ppm)
Mon Jul 04 16:47:08.367 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:08.370 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:08.372 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:47:08.386 CEST 2022: Number of Multiplets: 96
Mon Jul 04 16:47:08.389 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:47:08.588 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:47:08.594 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon Jul 04 16:47:08.602 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:47:08.750 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:47:08.759 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:47:08.764 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:08.768 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:47:08.770 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:08.773 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:08.784 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:47:08.905 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:47:08.955 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:47:09.306 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:47:09.309 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:09.312 CEST 2022: CMC-q finished in 1.39 s.
