Mon Jul 04 16:42:38.155 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:42:38.158 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G6_OS_Plate04_G6\1\pdata\1
Mon Jul 04 16:42:38.165 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:42:38.169 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:42:38.171 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:42:38.214 CEST 2022: No HSQC data available
Mon Jul 04 16:42:38.231 CEST 2022: No C13 data available
Mon Jul 04 16:42:38.247 CEST 2022: No HMBC data available
Mon Jul 04 16:42:38.291 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Mon Jul 04 16:42:38.325 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:42:38.457 CEST 2022: Structure is used: true
Mon Jul 04 16:42:38.476 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G6_OS_Plate04_G6/1/G6_OS_Plate04_G6-64fda973-aac3-4c09-b72a-cfaec173b62d.mol
Mon Jul 04 16:42:38.479 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:42:38.485 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:42:38.488 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:42:38.491 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:42:38.493 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:42:38.496 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:42:38.498 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:42:38.501 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:42:38.505 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:42:38.508 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:42:38.511 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:42:38.513 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:42:38.516 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 16:42:38.518 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:42:38.521 CEST 2022: RMSD noise: 30356285.287 (11.034/10.534)
Mon Jul 04 16:42:38.523 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:42:38.526 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:42:38.529 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:42:38.553 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:42:38.669 CEST 2022: Number of Peaks: (80, 24)
Mon Jul 04 16:42:38.672 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:42:38.675 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:42:38.697 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:42:38.700 CEST 2022: Signal-to-Noise ratio: 1754.96 (7.277 ppm)
Mon Jul 04 16:42:38.703 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:42:38.705 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:38.715 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:42:38.752 CEST 2022: Number of Multiplets: 146
Mon Jul 04 16:42:38.755 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:42:38.958 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:42:38.964 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.21 s.
Mon Jul 04 16:42:39.006 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon Jul 04 16:42:39.180 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:42:39.187 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:42:39.191 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:42:39.195 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:42:39.198 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:42:39.201 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:42:39.204 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:42:39.215 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:42:39.218 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:39.796 CEST 2022: Elapsed time for evaluation (BU Suite): 0.60 s.
Mon Jul 04 16:42:39.844 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:42:39.846 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:42:40.203 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:42:40.229 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:40.232 CEST 2022: CMC-q finished in 2.08 s.
