Mon Jul 04 16:09:52.892 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:09:52.895 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H1_OS_Plate01_H1\1\pdata\1
Mon Jul 04 16:09:52.902 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:09:52.905 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:09:52.908 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:09:53.270 CEST 2022: No HSQC data available
Mon Jul 04 16:09:53.282 CEST 2022: No C13 data available
Mon Jul 04 16:09:53.293 CEST 2022: No HMBC data available
Mon Jul 04 16:09:53.311 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:09:53.328 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:09:53.429 CEST 2022: Structure is used: true
Mon Jul 04 16:09:53.447 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H1_OS_Plate01_H1/1/H1_OS_Plate1_H1-fcb7d3fe-034e-47dd-9be0-9401593cf79e.mol
Mon Jul 04 16:09:53.450 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:09:53.456 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:09:53.459 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:09:53.671 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.21 s.
Mon Jul 04 16:09:53.674 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:09:53.677 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:09:53.679 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:09:53.681 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:09:53.686 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:09:53.689 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:09:53.691 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:09:53.694 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:09:53.696 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 16:09:53.699 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:09:53.701 CEST 2022: RMSD noise: 31853144.645 (9.400/8.900)
Mon Jul 04 16:09:53.703 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:09:53.706 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:09:53.710 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:09:53.733 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:09:53.821 CEST 2022: Number of Peaks: (85, 22)
Mon Jul 04 16:09:53.824 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:09:53.826 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:09:53.879 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:09:53.881 CEST 2022: Signal-to-Noise ratio: 712.53 (7.657 ppm)
Mon Jul 04 16:09:53.884 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:09:53.887 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:53.889 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon Jul 04 16:09:53.912 CEST 2022: Number of Multiplets: 163
Mon Jul 04 16:09:53.915 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:09:53.970 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:09:53.976 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:09:54.019 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon Jul 04 16:09:54.171 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:09:54.186 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:09:54.202 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:09:54.206 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:09:54.209 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:09:54.214 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:09:55.578 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.36 s.
Mon Jul 04 16:09:55.928 CEST 2022: Elapsed time for evaluation (IN Suite): 0.34 s.
Mon Jul 04 16:09:55.977 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:09:56.391 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.46 s.
Mon Jul 04 16:09:56.397 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:09:56.400 CEST 2022: CMC-q finished in 3.51 s.
