Mon Jul 04 16:25:58.699 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:25:58.702 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A5_OS_Plate012_A5\1\pdata\1
Mon Jul 04 16:25:58.710 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:25:58.714 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:25:58.716 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:25:58.818 CEST 2022: No HSQC data available
Mon Jul 04 16:25:58.829 CEST 2022: No C13 data available
Mon Jul 04 16:25:58.839 CEST 2022: No HMBC data available
Mon Jul 04 16:25:58.848 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:25:58.941 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.09 s.
Mon Jul 04 16:25:59.023 CEST 2022: Structure is used: true
Mon Jul 04 16:25:59.026 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A5_OS_Plate012_A5/1/A5_OS_Plate12_A5-05f3b4ee-d619-41b6-bdcd-3e4905ef14c4.mol
Mon Jul 04 16:25:59.029 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:26:01.185 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:01.188 CEST 2022: Elapsed time for evaluation (ICH Suite): 2.16 s.
Mon Jul 04 16:26:01.191 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:01.194 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:01.196 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:01.199 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:01.201 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:01.206 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:01.208 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:01.211 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:01.214 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:01.216 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]
Mon Jul 04 16:26:01.219 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:01.221 CEST 2022: RMSD noise: 30389830.654 (11.851/11.352)
Mon Jul 04 16:26:01.223 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:01.226 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:01.230 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:01.256 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:01.319 CEST 2022: Number of Peaks: (37, 6)
Mon Jul 04 16:26:01.322 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:26:01.324 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:01.426 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:26:01.429 CEST 2022: Signal-to-Noise ratio: 6949.86 (2.091 ppm)
Mon Jul 04 16:26:01.432 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:01.435 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:01.438 CEST 2022: Elapsed time for evaluation (PRE Suite): 2.41 s.
Mon Jul 04 16:26:01.447 CEST 2022: Number of Multiplets: 51
Mon Jul 04 16:26:01.450 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:26:01.477 CEST 2022: Number of Peak Cluster: 16
Mon Jul 04 16:26:01.482 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:26:01.487 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:26:01.598 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:26:01.632 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:26:01.636 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:01.639 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:26:01.642 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:01.644 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:01.649 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:26:01.655 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 16:26:01.706 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:26:02.064 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:26:02.067 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:02.069 CEST 2022: CMC-q finished in 3.37 s.
