Mon Jul 04 16:33:16.202 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:33:16.204 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F11_OS_Plate02_F11\1\pdata\1
Mon Jul 04 16:33:16.212 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:33:16.215 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:33:16.218 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:33:16.244 CEST 2022: No HSQC data available
Mon Jul 04 16:33:16.256 CEST 2022: No C13 data available
Mon Jul 04 16:33:16.267 CEST 2022: No HMBC data available
Mon Jul 04 16:33:16.275 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:33:16.297 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:33:16.421 CEST 2022: Structure is used: true
Mon Jul 04 16:33:16.441 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F11_OS_Plate02_F11/1/F11_OS_Plate02_F11-770b2b68-503c-43f0-b695-a026a257ee10.mol
Mon Jul 04 16:33:16.443 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:33:16.494 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:33:16.496 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.05 s.
Mon Jul 04 16:33:16.500 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:33:16.502 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:33:16.505 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:33:16.507 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:33:16.510 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:33:16.514 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:33:16.517 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:33:16.521 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:33:16.523 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:33:16.526 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 16:33:16.528 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:33:16.531 CEST 2022: RMSD noise: 27601714.182 (12.669/12.169)
Mon Jul 04 16:33:16.533 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:33:16.536 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:33:16.541 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:33:16.564 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:33:16.663 CEST 2022: Number of Peaks: (94, 19)
Mon Jul 04 16:33:16.666 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:33:16.669 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:33:16.684 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:33:16.687 CEST 2022: Signal-to-Noise ratio: 3649.44 (1.296 ppm)
Mon Jul 04 16:33:16.690 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:33:16.692 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:16.697 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:33:16.721 CEST 2022: Number of Multiplets: 157
Mon Jul 04 16:33:16.725 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:33:16.780 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:33:16.786 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:33:16.804 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:33:16.955 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:33:16.979 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:33:16.984 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:33:16.987 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:33:16.990 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:16.994 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:33:16.997 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:17.001 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:33:17.004 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:17.805 CEST 2022: Elapsed time for evaluation (BU Suite): 0.81 s.
Mon Jul 04 16:33:17.857 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:33:17.860 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:33:18.202 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:33:18.206 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:18.208 CEST 2022: CMC-q finished in 2.01 s.
