Mon Jul 04 16:22:10.234 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:10.237 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F6_OS_Plate011_F6\1\pdata\1
Mon Jul 04 16:22:10.245 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:10.248 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:10.251 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:10.293 CEST 2022: No HSQC data available
Mon Jul 04 16:22:10.307 CEST 2022: No C13 data available
Mon Jul 04 16:22:10.321 CEST 2022: No HMBC data available
Mon Jul 04 16:22:10.332 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:10.351 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:10.531 CEST 2022: Structure is used: true
Mon Jul 04 16:22:10.533 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F6_OS_Plate011_F6/1/F6_OS_Plate11_F6-29f6067b-4ed6-4865-a1fd-7b61314440b7.mol
Mon Jul 04 16:22:10.536 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:22:10.543 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:10.546 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:10.549 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:10.551 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:10.554 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:10.556 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:10.559 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:10.563 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:10.566 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:10.569 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:10.572 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:10.574 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 16:22:10.577 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:10.579 CEST 2022: RMSD noise: 28333622.612 (12.669/12.169)
Mon Jul 04 16:22:10.582 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:10.585 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:10.589 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:10.613 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:10.700 CEST 2022: Number of Peaks: (77, 11)
Mon Jul 04 16:22:10.703 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:22:10.706 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:10.726 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:22:10.730 CEST 2022: Signal-to-Noise ratio: 177.92 (7.035 ppm)
Mon Jul 04 16:22:10.733 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:10.736 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:10.738 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:22:10.759 CEST 2022: Number of Multiplets: 120
Mon Jul 04 16:22:10.783 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:22:10.833 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:22:10.840 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:22:10.854 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:10.986 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:22:10.992 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:10.997 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:11.001 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:22:11.003 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:11.010 CEST 2022: Number of consistent PNS: 45
Mon Jul 04 16:22:11.013 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:22:11.018 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:11.021 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:11.593 CEST 2022: Elapsed time for evaluation (BU Suite): 0.59 s.
Mon Jul 04 16:22:11.644 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:22:11.647 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:22:12.022 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:22:12.025 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:12.028 CEST 2022: CMC-q finished in 1.79 s.
