Mon Jul 04 16:26:19.302 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:26:19.304 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G5_OS_Plate012_G5\1\pdata\1
Mon Jul 04 16:26:19.312 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:26:19.315 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:26:19.318 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:26:19.342 CEST 2022: No HSQC data available
Mon Jul 04 16:26:19.353 CEST 2022: No C13 data available
Mon Jul 04 16:26:19.364 CEST 2022: No HMBC data available
Mon Jul 04 16:26:19.371 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:26:19.390 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:26:19.502 CEST 2022: Structure is used: true
Mon Jul 04 16:26:19.505 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G5_OS_Plate012_G5/1/G5_OS_Plate12_G5-6627a7bd-1265-45dd-8c43-decfb2b77458.mol
Mon Jul 04 16:26:19.507 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:26:19.514 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:19.516 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:26:19.519 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:19.522 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:19.524 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:19.527 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:19.529 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:19.533 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:19.536 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:19.539 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:19.541 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:19.543 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 16:26:19.546 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:19.548 CEST 2022: RMSD noise: 31483683.997 (6.132/5.632)
Mon Jul 04 16:26:19.551 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:19.554 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:19.558 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:19.582 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:19.654 CEST 2022: Number of Peaks: (49, 16)
Mon Jul 04 16:26:19.657 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:26:19.659 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:19.679 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:26:19.681 CEST 2022: Signal-to-Noise ratio: 4987.37 (3.777 ppm)
Mon Jul 04 16:26:19.684 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:19.687 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:19.689 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:26:19.699 CEST 2022: Number of Multiplets: 73
Mon Jul 04 16:26:19.702 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:26:19.738 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:26:19.744 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:26:19.755 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:26:19.867 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:26:19.871 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:26:19.875 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:19.879 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:26:19.882 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:19.884 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:19.926 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:26:20.062 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:26:20.125 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:26:20.479 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:26:20.483 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:20.486 CEST 2022: CMC-q finished in 1.19 s.
