Tue Jul 05 12:16:20.946 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:16:20.949 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A11_EUOS_Plate10_A11\1\pdata\1
Tue Jul 05 12:16:20.956 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:16:20.959 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:16:20.962 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:16:21.953 CEST 2022: No HSQC data available
Tue Jul 05 12:16:21.970 CEST 2022: No C13 data available
Tue Jul 05 12:16:21.986 CEST 2022: No HMBC data available
Tue Jul 05 12:16:22.033 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Tue Jul 05 12:16:22.082 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:16:22.204 CEST 2022: Structure is used: true
Tue Jul 05 12:16:22.206 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A11_EUOS_Plate10_A11/1/A11_EUOS_Plate10_A11-76412518-df87-4d6e-9787-3438e71ed97f.mol
Tue Jul 05 12:16:22.209 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Tue Jul 05 12:16:22.223 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:16:22.225 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:16:22.228 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:16:22.231 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:16:22.233 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:16:22.235 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:16:22.237 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:16:22.243 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:16:22.246 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Tue Jul 05 12:16:22.249 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:16:22.251 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:16:22.253 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 12:16:22.256 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 12:16:22.258 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:16:22.260 CEST 2022: RMSD noise: 17599790.765 (-0.977/-1.477)
Tue Jul 05 12:16:22.262 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:16:22.265 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:16:22.269 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:16:22.294 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:16:22.418 CEST 2022: Number of Peaks: (117, 22)
Tue Jul 05 12:16:22.442 CEST 2022: Elapsed time for evaluation (PP Suite): 0.15 s.
Tue Jul 05 12:16:22.445 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:16:22.490 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Tue Jul 05 12:16:22.493 CEST 2022: Signal-to-Noise ratio: 1670.08 (3.570 ppm)
Tue Jul 05 12:16:22.496 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:16:22.499 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:16:22.501 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Tue Jul 05 12:16:22.548 CEST 2022: Number of Multiplets: 233
Tue Jul 05 12:16:22.551 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Tue Jul 05 12:16:22.620 CEST 2022: Number of Peak Cluster: 30
Tue Jul 05 12:16:22.626 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Tue Jul 05 12:16:22.652 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:16:22.808 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Tue Jul 05 12:16:22.817 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:16:22.821 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:16:22.825 CEST 2022: Number of consistent PNS: 1
Tue Jul 05 12:16:22.828 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:16:22.832 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:16:23.273 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.44 s.
Tue Jul 05 12:16:23.485 CEST 2022: Elapsed time for evaluation (IN Suite): 0.21 s.
Tue Jul 05 12:16:23.541 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:16:23.544 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:16:23.919 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:16:23.922 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:16:23.925 CEST 2022: CMC-q finished in 2.98 s.
