Mon Jul 04 16:22:01.926 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:01.929 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A6_OS_Plate011_A6\1\pdata\1
Mon Jul 04 16:22:01.937 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:01.941 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:01.944 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:01.970 CEST 2022: No HSQC data available
Mon Jul 04 16:22:01.983 CEST 2022: No C13 data available
Mon Jul 04 16:22:01.994 CEST 2022: No HMBC data available
Mon Jul 04 16:22:02.010 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:02.032 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:02.129 CEST 2022: Structure is used: true
Mon Jul 04 16:22:02.132 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A6_OS_Plate011_A6/1/A6_OS_Plate11_A6-619b5bbe-12c8-423b-b1df-c011dc80f740.mol
Mon Jul 04 16:22:02.135 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:22:02.145 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:02.148 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:02.151 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:02.153 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:02.156 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:02.158 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:02.161 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:02.165 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:02.168 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:02.171 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:02.174 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:02.176 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 16:22:02.178 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:02.181 CEST 2022: RMSD noise: 31830568.754 (-2.040/-2.539)
Mon Jul 04 16:22:02.183 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:02.186 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:02.190 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:02.215 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:02.313 CEST 2022: Number of Peaks: (85, 6)
Mon Jul 04 16:22:02.341 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:22:02.344 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:02.412 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:22:02.415 CEST 2022: Signal-to-Noise ratio: 1139.03 (7.719 ppm)
Mon Jul 04 16:22:02.418 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:02.421 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:02.423 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:22:02.446 CEST 2022: Number of Multiplets: 136
Mon Jul 04 16:22:02.449 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:22:02.497 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:22:02.503 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:22:02.521 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:02.665 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:22:02.673 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:02.678 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:02.682 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:22:02.684 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:02.687 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:02.692 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:22:02.701 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:22:02.770 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:03.134 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:22:03.138 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:03.140 CEST 2022: CMC-q finished in 1.21 s.
