Mon Jul 04 19:35:35.350 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:35.352 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C2_EUOS_Plate08_C2\1\pdata\1
Mon Jul 04 19:35:35.360 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:35.364 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:35.367 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:35.380 CEST 2022: No HSQC data available
Mon Jul 04 19:35:35.392 CEST 2022: No C13 data available
Mon Jul 04 19:35:35.405 CEST 2022: No HMBC data available
Mon Jul 04 19:35:35.414 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:35.450 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 19:35:35.560 CEST 2022: Structure is used: true
Mon Jul 04 19:35:35.580 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C2_EUOS_Plate08_C2/1/C2_EUOS_Plate08_C2-d70ec0ae-e67c-421f-a7fc-8fb09c49084c.mol
Mon Jul 04 19:35:35.583 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 19:35:35.589 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:35.592 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:35.596 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:35.598 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:35.600 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:35.603 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:35.605 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:35.611 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:35:35.613 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:35:35.617 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:35.620 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:35.621 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 19:35:35.624 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 19:35:35.626 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:35.629 CEST 2022: RMSD noise: 19716594.728 (-0.176/-0.676)
Mon Jul 04 19:35:35.631 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:35.635 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:35.639 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:35.666 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:35.885 CEST 2022: Number of Peaks: (208, 23)
Mon Jul 04 19:35:35.889 CEST 2022: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon Jul 04 19:35:35.892 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:35.917 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 19:35:35.920 CEST 2022: Signal-to-Noise ratio: 6611.47 (3.502 ppm)
Mon Jul 04 19:35:35.923 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:35.925 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:35.928 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Mon Jul 04 19:35:36.049 CEST 2022: Number of Multiplets: 410
Mon Jul 04 19:35:36.061 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon Jul 04 19:35:36.230 CEST 2022: Number of Peak Cluster: 56
Mon Jul 04 19:35:36.238 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon Jul 04 19:35:36.261 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:35:36.566 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon Jul 04 19:35:36.595 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 19:35:36.604 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:36.611 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:35:36.614 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:36.617 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:36.630 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 19:35:36.811 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 19:35:36.870 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:36.873 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:37.281 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.47 s.
Mon Jul 04 19:35:37.284 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:37.287 CEST 2022: CMC-q finished in 1.94 s.
