Mon Jul 04 16:40:18.175 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:18.178 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C2_OS_Plate04_C2\1\pdata\1
Mon Jul 04 16:40:18.185 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:18.188 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:18.191 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:18.319 CEST 2022: No HSQC data available
Mon Jul 04 16:40:18.331 CEST 2022: No C13 data available
Mon Jul 04 16:40:18.343 CEST 2022: No HMBC data available
Mon Jul 04 16:40:18.351 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:40:18.373 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:40:18.474 CEST 2022: Structure is used: true
Mon Jul 04 16:40:18.491 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C2_OS_Plate04_C2/1/C2_OS_Plate04_C2-dd598322-44ab-48f1-a05a-8bffb1ba2994.mol
Mon Jul 04 16:40:18.494 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:40:18.505 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:18.507 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:18.510 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:18.513 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:18.515 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:18.518 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:18.520 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:18.525 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:18.527 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:18.531 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:18.533 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:18.535 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 16:40:18.538 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:18.540 CEST 2022: RMSD noise: 30481523.191 (7.766/7.266)
Mon Jul 04 16:40:18.542 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:18.545 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:18.549 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:18.573 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:18.692 CEST 2022: Number of Peaks: (94, 16)
Mon Jul 04 16:40:18.695 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:40:18.698 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:18.748 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:40:18.751 CEST 2022: Signal-to-Noise ratio: 3162.17 (2.048 ppm)
Mon Jul 04 16:40:18.754 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:18.756 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:18.759 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:40:18.783 CEST 2022: Number of Multiplets: 151
Mon Jul 04 16:40:18.786 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:40:18.850 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:40:18.856 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:40:18.900 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon Jul 04 16:40:19.061 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:40:19.078 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:19.083 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:19.087 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:40:19.089 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:19.094 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:40:19.096 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:19.108 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:40:19.111 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:19.866 CEST 2022: Elapsed time for evaluation (BU Suite): 0.77 s.
Mon Jul 04 16:40:19.919 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:40:19.921 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:40:20.269 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:40:20.272 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:20.275 CEST 2022: CMC-q finished in 2.10 s.
