Mon Jul 04 16:44:52.885 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:44:52.888 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F10_OS_Plate04_F10\1\pdata\1
Mon Jul 04 16:44:52.895 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:44:52.899 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:44:52.902 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:44:53.224 CEST 2022: No HSQC data available
Mon Jul 04 16:44:53.238 CEST 2022: No C13 data available
Mon Jul 04 16:44:53.249 CEST 2022: No HMBC data available
Mon Jul 04 16:44:53.259 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:44:53.280 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:44:53.416 CEST 2022: Structure is used: true
Mon Jul 04 16:44:53.435 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F10_OS_Plate04_F10/1/F10_OS_Plate04_F10-75942cca-3c30-4685-bb31-30d7d6bfb49d.mol
Mon Jul 04 16:44:53.437 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:44:53.448 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:44:53.451 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:44:53.453 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:44:53.456 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:44:53.458 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:44:53.460 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:44:53.462 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:44:53.467 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:44:53.469 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:44:53.472 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:44:53.475 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:44:53.477 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 16:44:53.479 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:44:53.482 CEST 2022: RMSD noise: 28251372.805 (12.669/12.169)
Mon Jul 04 16:44:53.484 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:44:53.487 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:44:53.490 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:44:53.514 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:44:53.614 CEST 2022: Number of Peaks: (105, 13)
Mon Jul 04 16:44:53.617 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:44:53.620 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:44:53.656 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:44:53.659 CEST 2022: Signal-to-Noise ratio: 1418.45 (7.017 ppm)
Mon Jul 04 16:44:53.662 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:44:53.665 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:53.667 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:44:53.693 CEST 2022: Number of Multiplets: 176
Mon Jul 04 16:44:53.696 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:44:53.756 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 16:44:53.762 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:44:53.779 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:44:53.924 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:44:53.941 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:44:53.946 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:44:53.950 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:44:53.953 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:44:53.956 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:44:54.743 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.79 s.
Mon Jul 04 16:44:54.972 CEST 2022: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon Jul 04 16:44:55.021 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:44:55.371 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:44:55.374 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:55.376 CEST 2022: CMC-q finished in 2.49 s.
