Mon Jul 04 16:43:58.118 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:43:58.120 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A9_OS_Plate04_A9\1\pdata\1
Mon Jul 04 16:43:58.127 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:43:58.131 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:43:58.134 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:43:59.644 CEST 2022: No HSQC data available
Mon Jul 04 16:43:59.655 CEST 2022: No C13 data available
Mon Jul 04 16:43:59.666 CEST 2022: No HMBC data available
Mon Jul 04 16:43:59.678 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:43:59.703 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:43:59.807 CEST 2022: Structure is used: true
Mon Jul 04 16:43:59.809 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A9_OS_Plate04_A9/1/A9_OS_Plate04_A9-a98dde1f-61b0-425c-8a21-7cfdc4592674.mol
Mon Jul 04 16:43:59.812 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:43:59.823 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:43:59.825 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:43:59.828 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:43:59.830 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:43:59.833 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:43:59.835 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:43:59.838 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:43:59.842 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:43:59.845 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:43:59.848 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:43:59.851 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:43:59.853 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 16:43:59.855 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:43:59.857 CEST 2022: RMSD noise: 29031561.496 (-1.222/-1.722)
Mon Jul 04 16:43:59.860 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:43:59.862 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:43:59.866 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:43:59.889 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:43:59.996 CEST 2022: Number of Peaks: (103, 16)
Mon Jul 04 16:44:00.000 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:44:00.002 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:44:00.039 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:44:00.042 CEST 2022: Signal-to-Noise ratio: 8047.07 (2.791 ppm)
Mon Jul 04 16:44:00.045 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:44:00.047 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:00.050 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:44:00.080 CEST 2022: Number of Multiplets: 158
Mon Jul 04 16:44:00.108 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon Jul 04 16:44:00.168 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:44:00.174 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:44:00.188 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:44:00.337 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:44:00.347 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:44:00.353 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:44:00.356 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:44:00.359 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:44:00.362 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:44:00.372 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:44:01.144 CEST 2022: Elapsed time for evaluation (IN Suite): 0.77 s.
Mon Jul 04 16:44:02.001 CEST 2022: Elapsed time for evaluation (BU Suite): 0.85 s.
Mon Jul 04 16:44:02.049 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:44:02.052 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:44:02.382 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:44:02.385 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:02.388 CEST 2022: CMC-q finished in 4.27 s.
