Mon Jul 04 16:17:53.837 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:17:53.840 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A8_OS_Plate09_A8\1\pdata\1
Mon Jul 04 16:17:53.847 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:17:53.851 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:17:53.854 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:17:53.926 CEST 2022: No HSQC data available
Mon Jul 04 16:17:53.938 CEST 2022: No C13 data available
Mon Jul 04 16:17:53.950 CEST 2022: No HMBC data available
Mon Jul 04 16:17:53.962 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:17:53.985 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:17:54.078 CEST 2022: Structure is used: true
Mon Jul 04 16:17:54.081 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A8_OS_Plate09_A8/1/A8_OS_Plate9_A8-1b12a43d-143c-4052-9bd1-9578e4e88d06.mol
Mon Jul 04 16:17:54.084 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:17:54.107 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:17:54.110 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:17:54.113 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:17:54.116 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:17:54.118 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:17:54.121 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:17:54.123 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:17:54.127 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:17:54.130 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:17:54.133 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:17:54.135 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:17:54.137 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 16:17:54.140 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:17:54.142 CEST 2022: RMSD noise: 31185491.051 (11.851/11.352)
Mon Jul 04 16:17:54.144 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:17:54.147 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:17:54.152 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:17:54.176 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:17:54.283 CEST 2022: Number of Peaks: (94, 10)
Mon Jul 04 16:17:54.308 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:17:54.310 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:17:54.363 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:17:54.365 CEST 2022: Signal-to-Noise ratio: 932.76 (3.172 ppm)
Mon Jul 04 16:17:54.368 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:17:54.371 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:54.373 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:17:54.393 CEST 2022: Number of Multiplets: 127
Mon Jul 04 16:17:54.395 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:17:54.454 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:17:54.461 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:17:54.471 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:17:54.620 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:17:54.629 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:17:54.634 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:17:54.638 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:17:54.641 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:17:54.643 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:17:54.700 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:17:54.857 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 16:17:54.904 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:17:55.269 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:17:55.282 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:55.285 CEST 2022: CMC-q finished in 1.45 s.
