Mon Jul 04 16:43:24.789 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:43:24.792 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A8_OS_Plate04_A8\1\pdata\1
Mon Jul 04 16:43:24.799 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:43:24.802 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:43:24.805 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:43:24.847 CEST 2022: No HSQC data available
Mon Jul 04 16:43:24.857 CEST 2022: No C13 data available
Mon Jul 04 16:43:24.868 CEST 2022: No HMBC data available
Mon Jul 04 16:43:24.883 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:43:24.909 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:43:25.007 CEST 2022: Structure is used: true
Mon Jul 04 16:43:25.026 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A8_OS_Plate04_A8/1/A8_OS_Plate04_A8-686ca600-c849-4300-aa87-b9b69489e959.mol
Mon Jul 04 16:43:25.028 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:43:25.039 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:43:25.041 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:43:25.044 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:43:25.047 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:43:25.049 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:43:25.051 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:43:25.053 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:43:25.058 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:43:25.061 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:43:25.064 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:43:25.066 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:43:25.068 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 16:43:25.071 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:43:25.073 CEST 2022: RMSD noise: 29413009.433 (6.132/5.632)
Mon Jul 04 16:43:25.075 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:43:25.078 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:43:25.082 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:43:25.106 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:43:25.196 CEST 2022: Number of Peaks: (83, 9)
Mon Jul 04 16:43:25.199 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:43:25.201 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:43:25.215 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:43:25.217 CEST 2022: Signal-to-Noise ratio: 6606.79 (1.923 ppm)
Mon Jul 04 16:43:25.220 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:43:25.222 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:43:25.224 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:43:25.241 CEST 2022: Number of Multiplets: 118
Mon Jul 04 16:43:25.244 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:43:25.301 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:43:25.306 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:43:25.318 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:43:25.453 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:43:25.458 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:43:25.463 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:43:25.468 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:43:25.470 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:43:25.473 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:43:25.501 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:43:25.548 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:43:25.595 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:43:25.941 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:43:25.944 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:43:25.947 CEST 2022: CMC-q finished in 1.16 s.
