Tue Jul 05 12:16:52.929 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:16:52.931 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F11_EUOS_Plate10_F11\1\pdata\1
Tue Jul 05 12:16:52.939 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:16:52.942 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:16:52.945 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:16:53.295 CEST 2022: No HSQC data available
Tue Jul 05 12:16:53.309 CEST 2022: No C13 data available
Tue Jul 05 12:16:53.323 CEST 2022: No HMBC data available
Tue Jul 05 12:16:53.331 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:16:53.351 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:16:53.441 CEST 2022: Structure is used: true
Tue Jul 05 12:16:53.442 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F11_EUOS_Plate10_F11/1/F11_EUOS_Plate10_F11-f9bdafc3-224a-4db5-9282-782ad6d60b88.mol
Tue Jul 05 12:16:53.445 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Tue Jul 05 12:16:53.457 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:16:53.459 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:16:53.462 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:16:53.465 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:16:53.467 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:16:53.470 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:16:53.472 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:16:53.477 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:16:53.479 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:16:53.482 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:16:53.484 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:16:53.486 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]
Tue Jul 05 12:16:53.489 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:16:53.491 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:16:53.493 CEST 2022: RMSD noise: 19245558.519 (-0.285/-0.785)
Tue Jul 05 12:16:53.496 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:16:53.499 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:16:53.503 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:16:53.527 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:16:53.638 CEST 2022: Number of Peaks: (102, 2)
Tue Jul 05 12:16:53.641 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Tue Jul 05 12:16:53.643 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:17:02.314 CEST 2022: Elapsed time for evaluation (SAR Suite): 8.67 s.
Tue Jul 05 12:17:02.317 CEST 2022: Signal-to-Noise ratio: 2289.62 (2.824 ppm)
Tue Jul 05 12:17:02.320 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:17:02.322 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:17:02.324 CEST 2022: Elapsed time for evaluation (PRE Suite): 8.88 s.
Tue Jul 05 12:17:02.353 CEST 2022: Number of Multiplets: 141
Tue Jul 05 12:17:02.356 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:17:02.624 CEST 2022: Number of Peak Cluster: 32
Tue Jul 05 12:17:02.631 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.27 s.
Tue Jul 05 12:17:02.652 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:17:02.830 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:17:02.862 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:17:02.867 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:17:02.871 CEST 2022: Number of consistent PNS: 1
Tue Jul 05 12:17:02.874 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:17:02.877 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:17:03.060 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Tue Jul 05 12:17:03.160 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Tue Jul 05 12:17:03.217 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:17:03.221 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:17:03.602 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:17:03.605 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:17:03.607 CEST 2022: CMC-q finished in 10.68 s.
