Wed Feb 04 23:30:42.479 EST 2015: Starting CMC-q package (9639) with command cmcq assistant analysis
Wed Feb 04 23:30:42.481 EST 2015: Analysing data set: /opt/data/singletons/Bionet_g2/mike/D12_rack9_D12/1/pdata/1
Wed Feb 04 23:30:42.487 EST 2015: Solvent of PROTON is unknown - set to: POLYSOLV
Wed Feb 04 23:30:42.493 EST 2015: TD: 32768 SI: 32768 SW: 15.972
Wed Feb 04 23:30:42.498 EST 2015: PT/PPM: 2051.5081 PT/Hz: 3.4209
Wed Feb 04 23:30:42.506 EST 2015: No HSQC data available
Wed Feb 04 23:30:42.515 EST 2015: No C13 data available
Wed Feb 04 23:30:42.518 EST 2015: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed Feb 04 23:30:42.537 EST 2015: Elapsed time for evaluation (SPD Suite): 0.02 s.
Wed Feb 04 23:30:42.540 EST 2015: Elapsed time for evaluation (PRED Suite - BCH_1H_13C): 0.00 s.
Wed Feb 04 23:30:43.139 EST 2015: Structure is used: true
Wed Feb 04 23:30:43.142 EST 2015: MOL-File /opt/data/singletons/Bionet_g2/mike/D12_rack9_D12/1/D12_rack9_D12.mol
Wed Feb 04 23:30:43.146 EST 2015: Elapsed time for evaluation (STD Suite - BCH_1H_13C): 0.60 s.
Wed Feb 04 23:30:43.156 EST 2015: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed Feb 04 23:30:43.159 EST 2015: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed Feb 04 23:30:43.166 EST 2015: Spectrum is 13C decoupled.
Wed Feb 04 23:30:43.173 EST 2015: Spectrum does not contain ERETIC signal.
Wed Feb 04 23:30:43.182 EST 2015: Spectrum is suppressed.
Wed Feb 04 23:30:43.190 EST 2015: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed Feb 04 23:30:43.200 EST 2015: Suppression frequencies at: 4.613 
Wed Feb 04 23:30:43.207 EST 2015: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed Feb 04 23:30:43.216 EST 2015: Expected impurity: TMS
Wed Feb 04 23:30:43.224 EST 2015: Expected impurity: H2O
Wed Feb 04 23:30:43.231 EST 2015: Expected impurity: CustomImpurity [isActive=true, identifier=mike_dmso, protonShiftLimitAPpm=2.5, protonShiftLimitBPpm=2.6, protonMultiplicity=other, protonCouplingHz=[], protonNumber=6, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed Feb 04 23:30:43.238 EST 2015: Elapsed time for evaluation (IMR Suite): 0.02 s.
Wed Feb 04 23:30:43.246 EST 2015: Elapsed time for evaluation (IMCH Suite): 0.00 s.
Wed Feb 04 23:30:43.252 EST 2015: RMSD noise: 178.030 (11.785/11.285)
Wed Feb 04 23:30:43.257 EST 2015: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed Feb 04 23:30:43.281 EST 2015: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.02 s.
Wed Feb 04 23:30:43.288 EST 2015: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed Feb 04 23:30:43.310 EST 2015: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Wed Feb 04 23:30:43.412 EST 2015: Number of Peaks: (22, 0)
Wed Feb 04 23:30:43.415 EST 2015: Elapsed time for evaluation (PP Suite): 0.10 s.
Wed Feb 04 23:30:43.418 EST 2015: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed Feb 04 23:30:43.421 EST 2015: Signal-to-Noise ratio: 233.65 (6.826 ppm)
Wed Feb 04 23:30:43.424 EST 2015: Elapsed time for evaluation (SND Suite): 0.00 s.
Wed Feb 04 23:30:43.426 EST 2015: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed Feb 04 23:30:43.429 EST 2015: Elapsed time for evaluation (PRE Suite): 0.28 s.
Wed Feb 04 23:30:43.447 EST 2015: Number of Multiplets: 36
Wed Feb 04 23:30:43.450 EST 2015: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed Feb 04 23:30:43.470 EST 2015: Number of Peak Cluster: 6
Wed Feb 04 23:30:43.473 EST 2015: Elapsed time for evaluation (PCG Suite): 0.02 s.
Wed Feb 04 23:30:43.483 EST 2015: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed Feb 04 23:30:43.489 EST 2015: Elapsed time for evaluation (HG Suite): 0.00 s.
Wed Feb 04 23:30:43.493 EST 2015: Elapsed time for evaluation (HG Suite): 0.00 s.
Wed Feb 04 23:30:43.506 EST 2015: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed Feb 04 23:30:43.510 EST 2015: PE Suite (NORMAL - PC): 0
Wed Feb 04 23:30:43.512 EST 2015: Elapsed time for evaluation (PE Suite - NORMAL): 0.00 s.
Wed Feb 04 23:30:43.516 EST 2015: Number of consistent PNS: 3
Wed Feb 04 23:30:43.518 EST 2015: Elapsed time for evaluation (PNS Suite): 0.00 s.
Wed Feb 04 23:30:43.522 EST 2015: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed Feb 04 23:30:43.529 EST 2015: Number of ASL: 2
Wed Feb 04 23:30:43.532 EST 2015: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Wed Feb 04 23:30:43.598 EST 2015: Elapsed time for evaluation (IN Suite): 0.06 s.
Wed Feb 04 23:30:43.627 EST 2015: CMC-assist project state: AutoConsistent
Wed Feb 04 23:30:43.836 EST 2015: Elapsed time for evaluation (FIN Suite): 0.23 s.
Wed Feb 04 23:30:43.840 EST 2015: CMC-q analysis finished.
