Mon Jul 04 16:12:06.432 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:12:06.434 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B7_OS_Plate01_B7\1\pdata\1
Mon Jul 04 16:12:06.441 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:12:06.445 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:12:06.448 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:12:06.550 CEST 2022: No HSQC data available
Mon Jul 04 16:12:06.563 CEST 2022: No C13 data available
Mon Jul 04 16:12:06.576 CEST 2022: No HMBC data available
Mon Jul 04 16:12:06.584 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:12:06.605 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:12:06.768 CEST 2022: Structure is used: true
Mon Jul 04 16:12:06.786 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B7_OS_Plate01_B7/1/B7_OS_Plate1_B7-a777eb78-46f3-4f08-af29-bfa6bb6faf08.mol
Mon Jul 04 16:12:06.788 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:12:06.799 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:12:06.802 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:12:06.805 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:12:06.807 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:12:06.810 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:12:06.812 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:12:06.815 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:12:06.820 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:12:06.822 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:12:06.825 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:12:06.827 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:12:06.830 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 16:12:06.832 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:12:06.834 CEST 2022: RMSD noise: 29470614.241 (9.400/8.900)
Mon Jul 04 16:12:06.837 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:12:06.840 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:12:06.843 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:12:06.867 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:12:06.957 CEST 2022: Number of Peaks: (77, 17)
Mon Jul 04 16:12:06.961 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:12:06.963 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:12:07.031 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:12:07.033 CEST 2022: Signal-to-Noise ratio: 1816.51 (3.777 ppm)
Mon Jul 04 16:12:07.037 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:12:07.039 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:07.041 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:12:07.063 CEST 2022: Number of Multiplets: 128
Mon Jul 04 16:12:07.066 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:12:07.525 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:12:07.531 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.46 s.
Mon Jul 04 16:12:07.537 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:12:07.682 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:12:07.706 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:12:07.710 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:12:07.714 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:12:07.717 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:07.720 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:12:07.958 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.24 s.
Mon Jul 04 16:12:08.119 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:12:08.567 CEST 2022: Elapsed time for evaluation (BU Suite): 0.45 s.
Mon Jul 04 16:12:08.617 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:12:08.620 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:12:08.975 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:12:08.978 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:08.981 CEST 2022: CMC-q finished in 2.55 s.
