Mon Jul 04 16:26:09.750 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:26:09.753 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D5_OS_Plate012_D5\1\pdata\1
Mon Jul 04 16:26:09.760 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:26:09.764 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:26:09.767 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:26:09.806 CEST 2022: No HSQC data available
Mon Jul 04 16:26:09.818 CEST 2022: No C13 data available
Mon Jul 04 16:26:09.831 CEST 2022: No HMBC data available
Mon Jul 04 16:26:09.845 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:26:09.866 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:26:09.979 CEST 2022: Structure is used: true
Mon Jul 04 16:26:09.982 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D5_OS_Plate012_D5/1/D5_OS_Plate12_D5-7c3c57ee-b0c4-4d03-8bcb-477376960ac2.mol
Mon Jul 04 16:26:09.985 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:26:09.999 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:10.001 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:26:10.004 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:10.007 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:10.009 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:10.011 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:10.014 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:10.018 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:10.021 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:10.024 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:10.026 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:10.029 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 16:26:10.031 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:10.034 CEST 2022: RMSD noise: 29793354.450 (10.217/9.717)
Mon Jul 04 16:26:10.036 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:10.039 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:10.042 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:10.066 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:10.161 CEST 2022: Number of Peaks: (83, 17)
Mon Jul 04 16:26:10.187 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:26:10.190 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:10.255 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:26:10.258 CEST 2022: Signal-to-Noise ratio: 5697.33 (2.124 ppm)
Mon Jul 04 16:26:10.261 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:10.263 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:10.265 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:26:10.281 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:26:10.284 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:26:10.339 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:26:10.345 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:26:10.357 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:26:10.505 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:26:10.510 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:26:10.515 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:10.519 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:26:10.522 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:10.525 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:10.549 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:26:11.376 CEST 2022: Elapsed time for evaluation (IN Suite): 0.83 s.
Mon Jul 04 16:26:11.429 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:26:11.768 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:26:11.771 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:11.774 CEST 2022: CMC-q finished in 2.02 s.
