Tue Jul 05 12:11:08.461 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:11:08.464 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A10_EUOS_Plate07_A10\1\pdata\1
Tue Jul 05 12:11:08.471 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:11:08.476 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:11:08.478 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:11:08.574 CEST 2022: No HSQC data available
Tue Jul 05 12:11:08.586 CEST 2022: No C13 data available
Tue Jul 05 12:11:08.598 CEST 2022: No HMBC data available
Tue Jul 05 12:11:08.810 CEST 2022: Elapsed time for evaluation (XD Suite): 0.21 s.
Tue Jul 05 12:11:08.836 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:11:08.959 CEST 2022: Structure is used: true
Tue Jul 05 12:11:08.962 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A10_EUOS_Plate07_A10/1/A10_EUOS_Plate07_A10-34b84e86-7468-48c7-b799-380bda99a1d6.mol
Tue Jul 05 12:11:08.965 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:11:08.994 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:11:08.997 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Tue Jul 05 12:11:09.000 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:11:09.002 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:11:09.005 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:11:09.007 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:11:09.010 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:11:09.014 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:11:09.017 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:11:09.020 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:11:09.022 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:11:09.025 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 12:11:09.027 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 12:11:09.030 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:11:09.032 CEST 2022: RMSD noise: 17903455.184 (-1.670/-2.170)
Tue Jul 05 12:11:09.034 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:11:09.037 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:11:09.041 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:11:09.066 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:11:09.164 CEST 2022: Number of Peaks: (83, 9)
Tue Jul 05 12:11:09.167 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Tue Jul 05 12:11:09.169 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:11:09.182 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:11:09.185 CEST 2022: Signal-to-Noise ratio: 546.97 (6.135 ppm)
Tue Jul 05 12:11:09.188 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:11:09.190 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:09.193 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Tue Jul 05 12:11:09.220 CEST 2022: Number of Multiplets: 173
Tue Jul 05 12:11:09.224 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:11:09.271 CEST 2022: Number of Peak Cluster: 25
Tue Jul 05 12:11:09.278 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:11:09.298 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:11:09.463 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Tue Jul 05 12:11:09.475 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:11:09.479 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:11:09.483 CEST 2022: Number of consistent PNS: 1
Tue Jul 05 12:11:09.485 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:11:09.488 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:11:09.495 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Tue Jul 05 12:11:09.627 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Tue Jul 05 12:11:09.693 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:11:09.696 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:11:10.069 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:11:10.073 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:10.075 CEST 2022: CMC-q finished in 1.61 s.
