Mon Jul 04 16:34:54.195 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:54.198 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B4_OS_Plate03_B4\1\pdata\1
Mon Jul 04 16:34:54.205 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:54.209 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:54.212 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:54.310 CEST 2022: No HSQC data available
Mon Jul 04 16:34:54.326 CEST 2022: No C13 data available
Mon Jul 04 16:34:54.342 CEST 2022: No HMBC data available
Mon Jul 04 16:34:54.353 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:34:54.449 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.09 s.
Mon Jul 04 16:34:54.625 CEST 2022: Structure is used: true
Mon Jul 04 16:34:54.629 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B4_OS_Plate03_B4/1/B4_OS_Plate03_B4-98009769-fb21-4f43-9d1c-8831c3b11166.mol
Mon Jul 04 16:34:54.632 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:34:54.960 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:34:54.963 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.33 s.
Mon Jul 04 16:34:54.966 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:34:54.969 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:34:54.971 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:34:54.974 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:34:54.977 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:34:54.981 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:34:54.984 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:34:54.987 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:34:54.990 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:34:54.992 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 16:34:54.995 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:34:54.998 CEST 2022: RMSD noise: 29293600.431 (-2.860/-3.359)
Mon Jul 04 16:34:55.000 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:34:55.003 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:34:55.008 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:34:55.032 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:34:55.133 CEST 2022: Number of Peaks: (79, 16)
Mon Jul 04 16:34:55.157 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:34:55.160 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:34:55.174 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:34:55.177 CEST 2022: Signal-to-Noise ratio: 213.06 (1.790 ppm)
Mon Jul 04 16:34:55.180 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:34:55.183 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:55.185 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon Jul 04 16:34:55.213 CEST 2022: Number of Multiplets: 183
Mon Jul 04 16:34:55.216 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:34:55.264 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:34:55.271 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:34:55.286 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:34:55.421 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:34:55.434 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:34:55.438 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:34:55.443 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:34:55.445 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:34:55.453 CEST 2022: Number of consistent PNS: 40
Mon Jul 04 16:34:55.455 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:34:55.464 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:34:55.467 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:56.214 CEST 2022: Elapsed time for evaluation (BU Suite): 0.77 s.
Mon Jul 04 16:34:56.270 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:34:56.273 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:34:56.655 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:34:56.659 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:56.662 CEST 2022: CMC-q finished in 2.47 s.
