Mon Jul 04 16:32:09.544 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:09.547 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B8_OS_Plate02_B8\1\pdata\1
Mon Jul 04 16:32:09.554 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:09.558 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:09.560 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:09.654 CEST 2022: No HSQC data available
Mon Jul 04 16:32:09.665 CEST 2022: No C13 data available
Mon Jul 04 16:32:09.675 CEST 2022: No HMBC data available
Mon Jul 04 16:32:09.684 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:32:09.852 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.16 s.
Mon Jul 04 16:32:09.964 CEST 2022: Structure is used: true
Mon Jul 04 16:32:09.984 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B8_OS_Plate02_B8/1/B8_OS_Plate02_B8-9d15da70-5762-479e-bbb8-d7a3d8aaa56c.mol
Mon Jul 04 16:32:09.986 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:32:10.444 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:10.446 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.46 s.
Mon Jul 04 16:32:10.449 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:10.452 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:10.454 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:10.456 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:10.459 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:10.463 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:10.465 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:10.468 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:10.470 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:10.472 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 16:32:10.475 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:10.477 CEST 2022: RMSD noise: 31739087.060 (6.132/5.632)
Mon Jul 04 16:32:10.479 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:10.482 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:10.486 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:10.510 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:10.584 CEST 2022: Number of Peaks: (66, 11)
Mon Jul 04 16:32:10.587 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:32:10.590 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:10.630 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:32:10.633 CEST 2022: Signal-to-Noise ratio: 2060.13 (7.524 ppm)
Mon Jul 04 16:32:10.636 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:10.639 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:10.641 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.65 s.
Mon Jul 04 16:32:10.655 CEST 2022: Number of Multiplets: 95
Mon Jul 04 16:32:10.657 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:32:10.701 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:32:10.707 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:32:10.719 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:10.850 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:32:10.867 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:10.872 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:10.875 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:32:10.878 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:10.881 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:10.917 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:32:11.934 CEST 2022: Elapsed time for evaluation (IN Suite): 1.01 s.
Mon Jul 04 16:32:12.449 CEST 2022: Elapsed time for evaluation (BU Suite): 0.51 s.
Mon Jul 04 16:32:12.508 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:32:12.511 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:32:12.851 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:32:12.854 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:12.857 CEST 2022: CMC-q finished in 3.31 s.
