Mon Jul 04 16:46:07.025 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:07.027 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G2_OS_Plate05_G2\1\pdata\1
Mon Jul 04 16:46:07.035 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:07.039 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:07.042 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:07.078 CEST 2022: No HSQC data available
Mon Jul 04 16:46:07.093 CEST 2022: No C13 data available
Mon Jul 04 16:46:07.108 CEST 2022: No HMBC data available
Mon Jul 04 16:46:07.116 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:46:07.134 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:07.263 CEST 2022: Structure is used: true
Mon Jul 04 16:46:07.266 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G2_OS_Plate05_G2/1/2_OS_Plate05_G2.mol
Mon Jul 04 16:46:07.269 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:46:07.289 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:07.292 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:46:07.296 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:07.299 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:07.301 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:07.304 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:07.306 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:07.311 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:07.313 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:46:07.316 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:07.319 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:07.321 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 16:46:07.324 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:07.327 CEST 2022: RMSD noise: 28924997.911 (-2.040/-2.540)
Mon Jul 04 16:46:07.329 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:07.332 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:07.336 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:07.360 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:07.491 CEST 2022: Number of Peaks: (121, 28)
Mon Jul 04 16:46:07.512 CEST 2022: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon Jul 04 16:46:07.515 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:07.523 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:07.525 CEST 2022: Signal-to-Noise ratio: 1350.92 (7.651 ppm)
Mon Jul 04 16:46:07.529 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:07.531 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:07.533 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:46:07.569 CEST 2022: Number of Multiplets: 199
Mon Jul 04 16:46:07.572 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:46:07.836 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:46:07.843 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.27 s.
Mon Jul 04 16:46:07.855 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:46:08.035 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Mon Jul 04 16:46:08.043 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:46:08.048 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:08.053 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:46:08.056 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:46:08.059 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:08.100 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:46:08.603 CEST 2022: Elapsed time for evaluation (IN Suite): 0.50 s.
Mon Jul 04 16:46:08.656 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:09.027 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:46:09.041 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:09.043 CEST 2022: CMC-q finished in 2.02 s.
