Mon Jul 04 16:22:51.192 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:51.195 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F8_OS_Plate011_F8\1\pdata\1
Mon Jul 04 16:22:51.202 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:51.206 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:51.209 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:51.289 CEST 2022: No HSQC data available
Mon Jul 04 16:22:51.302 CEST 2022: No C13 data available
Mon Jul 04 16:22:51.314 CEST 2022: No HMBC data available
Mon Jul 04 16:22:51.321 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:51.339 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:22:51.459 CEST 2022: Structure is used: true
Mon Jul 04 16:22:51.479 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F8_OS_Plate011_F8/1/F8_OS_Plate11_F8-56215544-b900-48c3-9013-58681df10ef8.mol
Mon Jul 04 16:22:51.482 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:22:51.488 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:51.491 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:51.493 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:51.496 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:51.498 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:51.500 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:51.503 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:51.507 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:51.509 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:51.512 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:51.515 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:51.517 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 16:22:51.520 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:51.522 CEST 2022: RMSD noise: 30208586.720 (12.669/12.169)
Mon Jul 04 16:22:51.524 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:51.527 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:51.531 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:51.555 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:51.653 CEST 2022: Number of Peaks: (95, 17)
Mon Jul 04 16:22:51.656 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:22:51.659 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:51.699 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:22:51.701 CEST 2022: Signal-to-Noise ratio: 12360.42 (1.249 ppm)
Mon Jul 04 16:22:51.704 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:51.707 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:51.709 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:22:51.724 CEST 2022: Number of Multiplets: 123
Mon Jul 04 16:22:51.727 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:22:51.784 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 16:22:51.790 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:22:51.802 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:51.954 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:22:51.959 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:51.964 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:51.968 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:22:51.970 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:51.973 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:51.997 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:22:52.492 CEST 2022: Elapsed time for evaluation (IN Suite): 0.49 s.
Mon Jul 04 16:22:52.556 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:52.914 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:22:52.917 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:52.920 CEST 2022: CMC-q finished in 1.73 s.
