Mon Jul 04 16:10:08.702 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:10:08.705 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C2_OS_Plate01_C2\1\pdata\1
Mon Jul 04 16:10:08.713 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:10:08.716 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:10:08.719 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:10:08.753 CEST 2022: No HSQC data available
Mon Jul 04 16:10:08.763 CEST 2022: No C13 data available
Mon Jul 04 16:10:08.773 CEST 2022: No HMBC data available
Mon Jul 04 16:10:08.781 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:10:08.817 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 16:10:08.894 CEST 2022: Structure is used: true
Mon Jul 04 16:10:08.897 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C2_OS_Plate01_C2/1/C2_OS_Plate1_C2-5d311ee7-6daa-4ccc-8a8f-ca19b35bcf10.mol
Mon Jul 04 16:10:08.900 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:10:08.911 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:10:08.913 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:10:08.916 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:10:08.919 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:10:08.921 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:10:08.923 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:10:08.926 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:10:08.930 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:10:08.932 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:10:08.936 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:10:08.938 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:10:08.941 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 16:10:08.943 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:10:08.946 CEST 2022: RMSD noise: 29025929.108 (12.669/12.169)
Mon Jul 04 16:10:08.948 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:10:08.951 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:10:08.955 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:10:08.978 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:10:09.052 CEST 2022: Number of Peaks: (59, 6)
Mon Jul 04 16:10:09.055 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:10:09.058 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:10:09.146 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.09 s.
Mon Jul 04 16:10:09.149 CEST 2022: Signal-to-Noise ratio: 6559.14 (2.176 ppm)
Mon Jul 04 16:10:09.153 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:10:09.156 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:09.158 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:10:09.173 CEST 2022: Number of Multiplets: 94
Mon Jul 04 16:10:09.175 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:10:09.218 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:10:09.224 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:10:09.236 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:10:09.363 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:10:09.386 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:10:09.391 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:10:09.394 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:10:09.396 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:10:09.399 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:10:09.405 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:10:09.423 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon Jul 04 16:10:09.473 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:10:09.845 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:10:09.848 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:09.850 CEST 2022: CMC-q finished in 1.15 s.
