Mon Jul 04 16:31:37.532 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:37.535 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C6_OS_Plate02_C6\1\pdata\1
Mon Jul 04 16:31:37.542 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:37.546 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:37.549 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:41.272 CEST 2022: No HSQC data available
Mon Jul 04 16:31:41.283 CEST 2022: No C13 data available
Mon Jul 04 16:31:41.294 CEST 2022: No HMBC data available
Mon Jul 04 16:31:41.367 CEST 2022: Elapsed time for evaluation (XD Suite): 0.07 s.
Mon Jul 04 16:31:41.510 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.14 s.
Mon Jul 04 16:31:41.604 CEST 2022: Structure is used: true
Mon Jul 04 16:31:41.607 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C6_OS_Plate02_C6/1/C6_OS_Plate02_C6-73a3447a-1c51-42c9-b731-c9d14499336c.mol
Mon Jul 04 16:31:41.609 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:31:41.745 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:41.748 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.14 s.
Mon Jul 04 16:31:41.751 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:41.753 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:41.755 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:41.758 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:41.760 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:41.764 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:41.766 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:41.769 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:41.772 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:41.774 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 16:31:41.776 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:41.779 CEST 2022: RMSD noise: 30948073.112 (11.851/11.352)
Mon Jul 04 16:31:41.781 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:41.784 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:41.788 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:41.811 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:41.884 CEST 2022: Number of Peaks: (66, 13)
Mon Jul 04 16:31:41.887 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:31:41.890 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:42.134 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.24 s.
Mon Jul 04 16:31:42.137 CEST 2022: Signal-to-Noise ratio: 591.23 (6.786 ppm)
Mon Jul 04 16:31:42.140 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:42.142 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:42.145 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon Jul 04 16:31:42.165 CEST 2022: Number of Multiplets: 134
Mon Jul 04 16:31:42.168 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:42.207 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:31:42.213 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:31:42.238 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:31:42.361 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:31:42.394 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:31:42.398 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:42.402 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:31:42.404 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:42.407 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:42.421 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:31:42.720 CEST 2022: Elapsed time for evaluation (IN Suite): 0.30 s.
Mon Jul 04 16:31:42.801 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:43.369 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.65 s.
Mon Jul 04 16:31:43.372 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:43.374 CEST 2022: CMC-q finished in 5.84 s.
