Mon Jul 04 16:14:38.189 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:38.192 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E1_OS_Plate09_E1\1\pdata\1
Mon Jul 04 16:14:38.199 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:38.203 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:38.206 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:38.242 CEST 2022: No HSQC data available
Mon Jul 04 16:14:38.258 CEST 2022: No C13 data available
Mon Jul 04 16:14:38.275 CEST 2022: No HMBC data available
Mon Jul 04 16:14:38.282 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:14:38.303 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:38.402 CEST 2022: Structure is used: true
Mon Jul 04 16:14:38.405 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E1_OS_Plate09_E1/1/E1_OS_Plate9_E1-fd01f7e4-f1f0-4bb4-8da8-4d23613c8154.mol
Mon Jul 04 16:14:38.407 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:14:38.418 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:38.421 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:38.424 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:38.426 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:38.429 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:38.431 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:38.433 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:38.438 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:38.440 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:38.443 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:38.445 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:38.448 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 16:14:38.450 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:38.452 CEST 2022: RMSD noise: 30865977.899 (-1.222/-1.722)
Mon Jul 04 16:14:38.454 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:38.457 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:38.461 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:38.485 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:38.557 CEST 2022: Number of Peaks: (50, 7)
Mon Jul 04 16:14:38.583 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:14:38.585 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:38.654 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:14:38.657 CEST 2022: Signal-to-Noise ratio: 227.22 (2.123 ppm)
Mon Jul 04 16:14:38.660 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:38.662 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:38.664 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:14:38.675 CEST 2022: Number of Multiplets: 64
Mon Jul 04 16:14:38.677 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:14:38.713 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:14:38.720 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:14:38.733 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:14:38.854 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:14:38.859 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:14:38.863 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:38.867 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:14:38.869 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:38.875 CEST 2022: Number of consistent PNS: 50
Mon Jul 04 16:14:38.877 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:14:38.881 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:38.883 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:39.243 CEST 2022: Elapsed time for evaluation (BU Suite): 0.37 s.
Mon Jul 04 16:14:39.291 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:14:39.293 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:14:39.642 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:14:39.645 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:39.647 CEST 2022: CMC-q finished in 1.46 s.
