Mon Jul 04 16:29:09.778 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:29:09.780 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C1_OS_Plate02_C1\1\pdata\1
Mon Jul 04 16:29:09.788 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:29:09.792 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:29:09.794 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:29:09.934 CEST 2022: No HSQC data available
Mon Jul 04 16:29:09.945 CEST 2022: No C13 data available
Mon Jul 04 16:29:09.957 CEST 2022: No HMBC data available
Mon Jul 04 16:29:09.964 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:29:09.985 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:29:10.077 CEST 2022: Structure is used: true
Mon Jul 04 16:29:10.080 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C1_OS_Plate02_C1/1/C1_OS_Plate02_C1-198eece2-ac3e-4db6-b7d9-5be55a53d03a.mol
Mon Jul 04 16:29:10.083 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:29:10.181 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:29:10.183 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.10 s.
Mon Jul 04 16:29:10.186 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:29:10.189 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:29:10.192 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:29:10.194 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:29:10.196 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:29:10.201 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:29:10.203 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:29:10.206 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:29:10.209 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:29:10.211 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 16:29:10.213 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:29:10.216 CEST 2022: RMSD noise: 29509953.591 (-0.405/-0.905)
Mon Jul 04 16:29:10.218 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:29:10.221 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:29:10.225 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:29:10.249 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:29:10.332 CEST 2022: Number of Peaks: (77, 6)
Mon Jul 04 16:29:10.335 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:29:10.338 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:29:10.377 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:29:10.380 CEST 2022: Signal-to-Noise ratio: 948.93 (6.721 ppm)
Mon Jul 04 16:29:10.383 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:29:10.385 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:10.387 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 16:29:10.407 CEST 2022: Number of Multiplets: 117
Mon Jul 04 16:29:10.410 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:29:10.460 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:29:10.466 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:29:10.499 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 16:29:10.617 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:29:10.621 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:29:10.626 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:29:10.629 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:29:10.632 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:10.635 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:29:10.677 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:29:10.787 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:29:10.836 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:29:11.205 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:29:11.208 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:11.210 CEST 2022: CMC-q finished in 1.43 s.
