Mon Jul 04 16:11:19.170 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:19.172 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F4_OS_Plate01_F4\1\pdata\1
Mon Jul 04 16:11:19.179 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:19.183 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:19.186 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:19.234 CEST 2022: No HSQC data available
Mon Jul 04 16:11:19.245 CEST 2022: No C13 data available
Mon Jul 04 16:11:19.256 CEST 2022: No HMBC data available
Mon Jul 04 16:11:19.263 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:11:19.281 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:11:19.396 CEST 2022: Structure is used: true
Mon Jul 04 16:11:19.413 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F4_OS_Plate01_F4/1/F4_OS_Plate1_F4-718158a3-a338-4d35-b370-8cc61be8bb8e.mol
Mon Jul 04 16:11:19.416 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:11:19.422 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:19.425 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:19.427 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:19.430 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:19.432 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:19.435 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:19.437 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:19.441 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:19.444 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:19.447 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:19.449 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:19.451 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 16:11:19.454 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:19.456 CEST 2022: RMSD noise: 31758956.185 (-2.040/-2.539)
Mon Jul 04 16:11:19.458 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:19.461 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:19.465 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:19.488 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:19.579 CEST 2022: Number of Peaks: (82, 9)
Mon Jul 04 16:11:19.582 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:11:19.585 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:19.666 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:11:19.668 CEST 2022: Signal-to-Noise ratio: 878.86 (2.248 ppm)
Mon Jul 04 16:11:19.671 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:19.673 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:19.676 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:11:19.699 CEST 2022: Number of Multiplets: 150
Mon Jul 04 16:11:19.702 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:11:19.755 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:11:19.762 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:11:19.791 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 16:11:19.921 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:11:19.929 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:11:19.934 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:19.938 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:11:19.941 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:19.945 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:20.020 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:11:20.220 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:11:20.922 CEST 2022: Elapsed time for evaluation (BU Suite): 0.70 s.
Mon Jul 04 16:11:20.970 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:11:20.973 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:11:21.353 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:11:21.356 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:21.359 CEST 2022: CMC-q finished in 2.19 s.
