Mon Jul 04 16:16:10.245 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:16:10.248 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C4_OS_Plate09_C4\1\pdata\1
Mon Jul 04 16:16:10.255 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:16:10.258 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:16:10.261 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:16:10.294 CEST 2022: No HSQC data available
Mon Jul 04 16:16:10.305 CEST 2022: No C13 data available
Mon Jul 04 16:16:10.315 CEST 2022: No HMBC data available
Mon Jul 04 16:16:10.323 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:16:10.344 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:16:10.438 CEST 2022: Structure is used: true
Mon Jul 04 16:16:10.441 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C4_OS_Plate09_C4/1/C4_OS_Plate9_C4-344a7cfe-87de-48c0-a3a3-13340935a5a5.mol
Mon Jul 04 16:16:10.444 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:16:10.455 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:16:10.457 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:16:10.460 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:16:10.462 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:16:10.465 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:16:10.467 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:16:10.469 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:16:10.474 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:16:10.476 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:16:10.479 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:16:10.481 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:16:10.484 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 16:16:10.486 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:16:10.489 CEST 2022: RMSD noise: 31538603.267 (5.315/4.815)
Mon Jul 04 16:16:10.491 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:16:10.494 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:16:10.499 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:16:10.522 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:16:10.616 CEST 2022: Number of Peaks: (76, 8)
Mon Jul 04 16:16:10.641 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:16:10.643 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:16:10.716 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:16:10.719 CEST 2022: Signal-to-Noise ratio: 2876.61 (6.995 ppm)
Mon Jul 04 16:16:10.722 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:16:10.725 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:10.727 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:16:10.749 CEST 2022: Number of Multiplets: 129
Mon Jul 04 16:16:10.752 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:16:10.797 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:16:10.803 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:16:10.813 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:16:10.955 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:16:10.962 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:16:10.967 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:16:10.970 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:16:10.973 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:16:10.975 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:16:11.018 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:16:11.177 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:16:11.252 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:16:11.620 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:16:11.623 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:11.625 CEST 2022: CMC-q finished in 1.38 s.
