Tue Jul 05 12:08:19.927 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:08:19.930 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H3_EUOS_Plate07_H3\1\pdata\1
Tue Jul 05 12:08:19.937 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:08:19.941 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:08:19.943 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:08:19.988 CEST 2022: No HSQC data available
Tue Jul 05 12:08:20.001 CEST 2022: No C13 data available
Tue Jul 05 12:08:20.014 CEST 2022: No HMBC data available
Tue Jul 05 12:08:20.022 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:08:20.043 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:08:20.166 CEST 2022: Structure is used: true
Tue Jul 05 12:08:20.183 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H3_EUOS_Plate07_H3/1/H3_EUOS_Plate07_H3-942365ff-db5e-4f3a-b7eb-5796d273d219.mol
Tue Jul 05 12:08:20.185 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Tue Jul 05 12:08:20.197 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:08:20.199 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:08:20.202 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:08:20.204 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:08:20.207 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:08:20.209 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:08:20.211 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:08:20.216 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:08:20.218 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:08:20.221 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:08:20.224 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:08:20.226 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]
Tue Jul 05 12:08:20.228 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:08:20.230 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:08:20.233 CEST 2022: RMSD noise: 18764201.143 (-1.670/-2.170)
Tue Jul 05 12:08:20.236 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:08:20.239 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:08:20.243 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:08:20.267 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:08:20.383 CEST 2022: Number of Peaks: (96, 18)
Tue Jul 05 12:08:20.386 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Tue Jul 05 12:08:20.388 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:08:20.433 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Tue Jul 05 12:08:20.436 CEST 2022: Signal-to-Noise ratio: 1429.10 (1.113 ppm)
Tue Jul 05 12:08:20.439 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:08:20.441 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:20.444 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Tue Jul 05 12:08:20.474 CEST 2022: Number of Multiplets: 180
Tue Jul 05 12:08:20.477 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:08:20.532 CEST 2022: Number of Peak Cluster: 26
Tue Jul 05 12:08:20.538 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Tue Jul 05 12:08:20.553 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Tue Jul 05 12:08:20.724 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:08:20.735 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:08:20.740 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:08:20.745 CEST 2022: Number of consistent PNS: 2
Tue Jul 05 12:08:20.747 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:08:20.750 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:08:20.830 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Tue Jul 05 12:08:21.063 CEST 2022: Elapsed time for evaluation (IN Suite): 0.23 s.
Tue Jul 05 12:08:21.126 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:08:21.130 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:08:21.497 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:08:21.500 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:21.503 CEST 2022: CMC-q finished in 1.58 s.
