Mon Jul 04 16:50:51.684 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:51.686 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B4_OS_Plate06_B4\1\pdata\1
Mon Jul 04 16:50:51.694 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:51.698 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:51.701 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:51.785 CEST 2022: No HSQC data available
Mon Jul 04 16:50:51.796 CEST 2022: No C13 data available
Mon Jul 04 16:50:51.808 CEST 2022: No HMBC data available
Mon Jul 04 16:50:51.815 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:50:51.837 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:51.928 CEST 2022: Structure is used: true
Mon Jul 04 16:50:51.947 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B4_OS_Plate06_B4/1/B4_OS_Plate06_B4-5ce37d24-5085-408e-8ec4-497e637edf37.mol
Mon Jul 04 16:50:51.949 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:50:51.962 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:51.965 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:51.968 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:51.970 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:51.973 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:51.975 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:51.977 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:51.982 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:51.984 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:51.987 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:51.990 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:51.992 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 16:50:51.994 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:51.997 CEST 2022: RMSD noise: 29986078.671 (-2.860/-3.359)
Mon Jul 04 16:50:51.999 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:52.002 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:52.006 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:52.030 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:52.145 CEST 2022: Number of Peaks: (111, 23)
Mon Jul 04 16:50:52.148 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:50:52.151 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:52.163 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:52.166 CEST 2022: Signal-to-Noise ratio: 21509.81 (1.085 ppm)
Mon Jul 04 16:50:52.169 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:52.171 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:52.174 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:50:52.197 CEST 2022: Number of Multiplets: 120
Mon Jul 04 16:50:52.199 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:50:52.261 CEST 2022: Number of Peak Cluster: 38
Mon Jul 04 16:50:52.266 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:50:52.275 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:52.464 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Mon Jul 04 16:50:52.472 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:52.477 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:52.480 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:50:52.482 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:52.486 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:50:52.488 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:52.492 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:52.494 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:53.254 CEST 2022: Elapsed time for evaluation (BU Suite): 0.77 s.
Mon Jul 04 16:50:53.302 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:50:53.304 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:50:53.647 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:50:53.670 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:53.673 CEST 2022: CMC-q finished in 1.99 s.
