Mon Jul 04 19:38:06.224 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:38:06.227 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A6_EUOS_Plate08_A6\1\pdata\1
Mon Jul 04 19:38:06.234 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:38:06.238 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:38:06.241 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:38:06.284 CEST 2022: No HSQC data available
Mon Jul 04 19:38:06.297 CEST 2022: No C13 data available
Mon Jul 04 19:38:06.311 CEST 2022: No HMBC data available
Mon Jul 04 19:38:06.319 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:38:06.338 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:38:06.441 CEST 2022: Structure is used: true
Mon Jul 04 19:38:06.445 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A6_EUOS_Plate08_A6/1/A6_EUOS_Plate08_A6-ae0ff0cc-2c4a-4e78-bc3d-d5f08f679dcf.mol
Mon Jul 04 19:38:06.448 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:38:06.455 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:38:06.460 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:38:06.482 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.02 s.
Mon Jul 04 19:38:06.485 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:38:06.488 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:38:06.491 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:38:06.494 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:38:06.499 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:38:06.502 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:38:06.506 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:38:06.509 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:38:06.511 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.66, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:38:06.514 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.01, protonShiftLimitBPpm=0.01, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:38:06.517 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:38:06.519 CEST 2022: RMSD noise: 18685951.713 (-1.562/-2.062)
Mon Jul 04 19:38:06.522 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:38:06.525 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:38:06.530 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:38:06.557 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:38:06.751 CEST 2022: Number of Peaks: (165, 28)
Mon Jul 04 19:38:06.776 CEST 2022: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon Jul 04 19:38:06.779 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:38:06.864 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 19:38:06.868 CEST 2022: Signal-to-Noise ratio: 9700.26 (3.860 ppm)
Mon Jul 04 19:38:06.871 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:38:06.873 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:06.876 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.42 s.
Mon Jul 04 19:38:06.993 CEST 2022: Number of Multiplets: 333
Mon Jul 04 19:38:06.997 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.12 s.
Mon Jul 04 19:38:07.087 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 19:38:07.093 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 19:38:07.121 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 19:38:07.401 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon Jul 04 19:38:07.426 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 19:38:07.433 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:38:07.438 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:38:07.440 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:38:07.446 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:38:07.465 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 19:38:07.897 CEST 2022: Elapsed time for evaluation (IN Suite): 0.43 s.
Mon Jul 04 19:38:07.994 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:38:07.998 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:38:08.391 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.49 s.
Mon Jul 04 19:38:08.404 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:08.407 CEST 2022: CMC-q finished in 2.18 s.
