Tue Jul 05 12:08:32.130 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:08:32.133 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C4_EUOS_Plate07_C4\1\pdata\1
Tue Jul 05 12:08:32.141 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:08:32.145 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:08:32.148 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:08:39.999 CEST 2022: No HSQC data available
Tue Jul 05 12:08:40.011 CEST 2022: No C13 data available
Tue Jul 05 12:08:40.023 CEST 2022: No HMBC data available
Tue Jul 05 12:08:40.209 CEST 2022: Elapsed time for evaluation (XD Suite): 0.18 s.
Tue Jul 05 12:08:40.230 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:08:40.337 CEST 2022: Structure is used: true
Tue Jul 05 12:08:40.340 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C4_EUOS_Plate07_C4/1/C4_EUOS_Plate07_C4-4af9aa22-c3c4-4be6-8867-330b175414de.mol
Tue Jul 05 12:08:40.342 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:08:40.352 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:08:40.355 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:08:40.358 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:08:40.361 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:08:40.363 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:08:40.365 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:08:40.367 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:08:40.372 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:08:40.374 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:08:40.377 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:08:40.380 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:08:40.382 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 12:08:40.385 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 12:08:40.388 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:08:40.390 CEST 2022: RMSD noise: 18298861.842 (-1.670/-2.170)
Tue Jul 05 12:08:40.392 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:08:40.395 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:08:40.399 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:08:40.423 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:08:40.592 CEST 2022: Number of Peaks: (151, 18)
Tue Jul 05 12:08:40.617 CEST 2022: Elapsed time for evaluation (PP Suite): 0.19 s.
Tue Jul 05 12:08:40.619 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:08:40.633 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:08:40.635 CEST 2022: Signal-to-Noise ratio: 2441.32 (3.568 ppm)
Tue Jul 05 12:08:40.638 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:08:40.641 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:40.644 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Tue Jul 05 12:08:40.714 CEST 2022: Number of Multiplets: 281
Tue Jul 05 12:08:40.717 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.07 s.
Tue Jul 05 12:08:40.813 CEST 2022: Number of Peak Cluster: 37
Tue Jul 05 12:08:40.819 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Tue Jul 05 12:08:40.859 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Tue Jul 05 12:08:41.098 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.24 s.
Tue Jul 05 12:08:41.130 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Tue Jul 05 12:08:41.136 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:08:41.141 CEST 2022: Number of consistent PNS: 3
Tue Jul 05 12:08:41.143 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:08:41.147 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:08:41.172 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Tue Jul 05 12:08:41.653 CEST 2022: Elapsed time for evaluation (IN Suite): 0.48 s.
Tue Jul 05 12:08:41.733 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:08:41.736 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:08:42.145 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.49 s.
Tue Jul 05 12:08:42.148 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:42.151 CEST 2022: CMC-q finished in 10.02 s.
