Mon Jul 04 16:21:47.302 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:47.305 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A5_OS_Plate011_A5\1\pdata\1
Mon Jul 04 16:21:47.314 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:47.318 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:47.321 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:47.351 CEST 2022: No HSQC data available
Mon Jul 04 16:21:47.363 CEST 2022: No C13 data available
Mon Jul 04 16:21:47.375 CEST 2022: No HMBC data available
Mon Jul 04 16:21:47.383 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:21:47.405 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:21:48.063 CEST 2022: Structure is used: true
Mon Jul 04 16:21:48.088 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A5_OS_Plate011_A5/1/A5_OS_Plate11_A5-b71620b7-f004-4a0d-bd0b-e35be463a206.mol
Mon Jul 04 16:21:48.090 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Mon Jul 04 16:21:48.102 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:48.104 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:48.107 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:48.110 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:48.113 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:48.115 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:48.118 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:48.123 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:48.125 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:21:48.128 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:48.131 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:48.133 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 16:21:48.136 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:48.138 CEST 2022: RMSD noise: 28536588.726 (-2.860/-3.359)
Mon Jul 04 16:21:48.141 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:48.144 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:48.148 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:48.172 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:48.274 CEST 2022: Number of Peaks: (90, 8)
Mon Jul 04 16:21:48.277 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:21:48.280 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:48.311 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:21:48.314 CEST 2022: Signal-to-Noise ratio: 5825.99 (2.288 ppm)
Mon Jul 04 16:21:48.317 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:48.319 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:48.322 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:21:48.345 CEST 2022: Number of Multiplets: 131
Mon Jul 04 16:21:48.348 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:21:48.405 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:21:48.411 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:21:48.428 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:21:48.566 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:21:48.573 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:48.579 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:48.583 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:21:48.586 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:48.589 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:48.608 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:21:48.758 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 16:21:48.808 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:48.812 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:21:49.162 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:21:49.165 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:49.168 CEST 2022: CMC-q finished in 1.87 s.
