Mon Jul 04 16:37:56.696 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:37:56.699 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H8_OS_Plate03_H8\1\pdata\1
Mon Jul 04 16:37:56.721 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:37:56.725 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:37:56.728 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:37:56.791 CEST 2022: No HSQC data available
Mon Jul 04 16:37:56.801 CEST 2022: No C13 data available
Mon Jul 04 16:37:56.811 CEST 2022: No HMBC data available
Mon Jul 04 16:37:56.819 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:37:56.836 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:37:56.937 CEST 2022: Structure is used: true
Mon Jul 04 16:37:56.940 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H8_OS_Plate03_H8/1/H8_OS_Plate03_H8-2bde2e4a-7ee4-4931-9a99-ff40bca0d0c6.mol
Mon Jul 04 16:37:56.942 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:37:56.948 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:37:56.951 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:37:56.954 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:37:56.956 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:37:56.958 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:37:56.960 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:37:56.963 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:37:56.967 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:37:56.970 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:37:56.973 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:37:56.975 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:37:56.978 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 16:37:56.980 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:37:56.982 CEST 2022: RMSD noise: 31849172.563 (5.315/4.815)
Mon Jul 04 16:37:56.985 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:37:56.993 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon Jul 04 16:37:57.017 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:37:57.042 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:37:57.153 CEST 2022: Number of Peaks: (113, 10)
Mon Jul 04 16:37:57.156 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:37:57.158 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:37:57.204 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:37:57.206 CEST 2022: Signal-to-Noise ratio: 1819.95 (7.388 ppm)
Mon Jul 04 16:37:57.209 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:37:57.211 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:57.214 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:37:57.245 CEST 2022: Number of Multiplets: 176
Mon Jul 04 16:37:57.248 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:37:57.312 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:37:57.317 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:37:57.329 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:37:57.495 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:37:57.513 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:37:57.519 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:37:57.522 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:37:57.525 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:37:57.530 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:37:57.534 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:37:57.681 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 16:37:57.745 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:37:58.093 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:37:58.108 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:58.110 CEST 2022: CMC-q finished in 1.41 s.
