Mon Jul 04 16:52:49.909 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:49.912 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A9_OS_Plate06_A9\1\pdata\1
Mon Jul 04 16:52:49.920 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:49.923 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:49.926 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:49.954 CEST 2022: No HSQC data available
Mon Jul 04 16:52:49.965 CEST 2022: No C13 data available
Mon Jul 04 16:52:49.976 CEST 2022: No HMBC data available
Mon Jul 04 16:52:49.983 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:52:50.005 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:52:50.111 CEST 2022: Structure is used: true
Mon Jul 04 16:52:50.137 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A9_OS_Plate06_A9/1/A9_OS_Plate06_A9-bb62f87c-f011-4715-aec8-285b75819048.mol
Mon Jul 04 16:52:50.139 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:52:50.151 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:50.154 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:50.157 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:50.159 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:50.161 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:50.163 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:50.166 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:50.170 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:50.173 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:50.175 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:50.178 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:50.180 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 16:52:50.182 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:50.185 CEST 2022: RMSD noise: 31246405.703 (-1.222/-1.722)
Mon Jul 04 16:52:50.187 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:50.190 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:50.194 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:50.217 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:50.357 CEST 2022: Number of Peaks: (116, 21)
Mon Jul 04 16:52:50.360 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon Jul 04 16:52:50.363 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:50.381 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:52:50.392 CEST 2022: Signal-to-Noise ratio: 91837.83 (1.102 ppm)
Mon Jul 04 16:52:50.394 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:50.397 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:50.400 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:52:50.441 CEST 2022: Number of Multiplets: 196
Mon Jul 04 16:52:50.444 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:52:50.511 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:52:50.517 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:52:50.526 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:52:50.734 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.20 s.
Mon Jul 04 16:52:50.759 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:52:50.764 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:50.769 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:52:50.772 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:50.774 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:50.788 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:52:51.213 CEST 2022: Elapsed time for evaluation (IN Suite): 0.42 s.
Mon Jul 04 16:52:52.148 CEST 2022: Elapsed time for evaluation (BU Suite): 0.93 s.
Mon Jul 04 16:52:52.197 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:52:52.200 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:52:52.518 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.37 s.
Mon Jul 04 16:52:52.521 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:52.524 CEST 2022: CMC-q finished in 2.62 s.
