Mon Jul 04 16:23:10.671 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:10.674 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G9_OS_Plate011_G9\1\pdata\1
Mon Jul 04 16:23:10.681 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:10.684 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:10.687 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:11.280 CEST 2022: No HSQC data available
Mon Jul 04 16:23:11.292 CEST 2022: No C13 data available
Mon Jul 04 16:23:11.304 CEST 2022: No HMBC data available
Mon Jul 04 16:23:11.387 CEST 2022: Elapsed time for evaluation (XD Suite): 0.08 s.
Mon Jul 04 16:23:11.894 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.50 s.
Mon Jul 04 16:23:11.996 CEST 2022: Structure is used: true
Mon Jul 04 16:23:12.022 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G9_OS_Plate011_G9/1/G9_OS_Plate11_G9-c0c58dc9-e7b7-4736-b295-a48a3a969918.mol
Mon Jul 04 16:23:12.025 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:23:12.031 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:12.034 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:23:12.037 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:12.039 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:12.042 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:12.044 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:12.047 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:12.051 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:12.054 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:12.057 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:12.059 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:12.061 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 16:23:12.064 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:12.066 CEST 2022: RMSD noise: 30699259.782 (-2.040/-2.539)
Mon Jul 04 16:23:12.069 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:12.071 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:12.075 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:12.099 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:12.169 CEST 2022: Number of Peaks: (60, 7)
Mon Jul 04 16:23:12.172 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:23:12.174 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:12.249 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:23:12.253 CEST 2022: Signal-to-Noise ratio: 5852.49 (2.105 ppm)
Mon Jul 04 16:23:12.256 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:12.258 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:12.261 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:23:12.273 CEST 2022: Number of Multiplets: 92
Mon Jul 04 16:23:12.275 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:23:12.317 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:23:12.323 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:23:12.339 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:23:12.468 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:23:12.472 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:23:12.477 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:12.480 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:23:12.483 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:12.485 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:12.516 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:23:12.594 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:23:12.645 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:23:13.016 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:23:13.019 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:13.021 CEST 2022: CMC-q finished in 2.35 s.
