Mon Jul 04 16:29:55.000 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:29:55.003 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G2_OS_Plate02_G2\1\pdata\1
Mon Jul 04 16:29:55.010 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:29:55.014 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:29:55.017 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:29:55.046 CEST 2022: No HSQC data available
Mon Jul 04 16:29:55.059 CEST 2022: No C13 data available
Mon Jul 04 16:29:55.074 CEST 2022: No HMBC data available
Mon Jul 04 16:29:55.082 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:29:55.100 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:29:55.213 CEST 2022: Structure is used: true
Mon Jul 04 16:29:55.233 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G2_OS_Plate02_G2/1/G2_OS_Plate02_G2-472e7e23-8679-42b4-8263-a8b3bfb29ff1.mol
Mon Jul 04 16:29:55.236 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:29:55.242 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:29:55.245 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:29:55.248 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:29:55.251 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:29:55.254 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:29:55.256 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:29:55.258 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:29:55.263 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:29:55.266 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:29:55.269 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:29:55.271 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:29:55.274 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 16:29:55.276 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:29:55.278 CEST 2022: RMSD noise: 30675953.984 (10.217/9.717)
Mon Jul 04 16:29:55.281 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:29:55.284 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:29:55.288 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:29:55.312 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:29:55.409 CEST 2022: Number of Peaks: (97, 15)
Mon Jul 04 16:29:55.413 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:29:55.415 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:29:55.428 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:29:55.438 CEST 2022: Signal-to-Noise ratio: 3351.71 (1.100 ppm)
Mon Jul 04 16:29:55.441 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:29:55.443 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:55.446 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:29:55.468 CEST 2022: Number of Multiplets: 158
Mon Jul 04 16:29:55.471 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:29:55.527 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:29:55.533 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:29:55.549 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:29:55.695 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:29:55.708 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:29:55.713 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:29:55.718 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:29:55.721 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:55.724 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:29:55.774 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:29:55.927 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 16:29:55.980 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:29:56.361 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:29:56.373 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:56.376 CEST 2022: CMC-q finished in 1.38 s.
