Output

CODGAS keeps a running list of statistics as well as a string showing the current state of the grouping.

example:

3 Groups

53 Datasets

SG number is 146 and Unit cell is 82.23 82.23 33.82 90.00 90.00 120.00

XDS files ['0.HKL', '1.HKL', '2.HKL', '3.HKL', '4.HKL', '5.HKL', '6.HKL', '7.HKL', '8.HKL', '9.HKL', '10.HKL', '11.HKL', '12.HKL', '13.HKL', '14.HKL', '15.HKL', '16.HKL', '17.HKL', '18.HKL', '19.HKL', '20.HKL', '21.HKL', '22.HKL', '23.HKL', '24.HKL', '25.HKL', '26.HKL', '27.HKL', '28.HKL', '29.HKL', '30.HKL', '31.HKL', '32.HKL', '33.HKL', '34.HKL', '35.HKL', '36.HKL', '37.HKL', '38.HKL', '39.HKL', '40.HKL', '41.HKL', '42.HKL', '43.HKL', '44.HKL', '45.HKL', '46.HKL', '47.HKL', '48.HKL', '49.HKL', '50.HKL', '51.HKL', '52.HKL']

Population size is 20

Mutation probability: 0.6

Crossover probability: 0.3

___1__1_________1___11_1__11__________1___________1_ --> Max. res 1.58 Fitness 1247.5, Isig_inner: 12.47->Isig score: 124.7 Rmeas_inner: 11.2->Rscore 355.2 Completeness: 96.7->Completeness_score: 386.8 Multiplicity: 2.88891416439-> Mult.Score 0.0 CC0.5: 47.6-> CC0.5 score 380.8 Best_Ano 0.77 SigAno_inner 1.205

2____2_____2___2_2__________2______2_2_2_222__22____ --> Max. res 1.54 Fitness 1054.1, Isig_inner: 11.77->Isig score: 117.7 Rmeas_inner: 52.1->Rscore 191.6 Completeness: 98.4->Completeness_score: 393.6 Multiplicity: 3.97638557807-> Mult.Score 0.0 CC0.5: 43.9-> CC0.5 score 351.2 Best_Ano 0.867 SigAno_inner 1.047

__3_3__33_3_333___3__________3333_______3_______3__3 --> Max. res 1.5 Fitness 1322.9, Isig_inner: 16.57->Isig score: 165.7 Rmeas_inner: 18.5->Rscore 326.0 Completeness: 95.8->Completeness_score: 383.2 Multiplicity: 4.65040152964-> Mult.Score 0.0 CC0.5: 56.0-> CC0.5 score 448.0 Best_Ano 0.795 SigAno_inner 1.045

_4_______4_________4__4_44_______44_4_______44___4__ --> Max. res 1.58 Fitness 1159.1, Isig_inner: 16.07->Isig score: 160.7 Rmeas_inner: 56.6->Rscore 173.6 Completeness: 94.6->Completeness_score: 378.4 Multiplicity: 3.54818717075-> Mult.Score 0.0 CC0.5: 55.8-> CC0.5 score 446.4 Best_Ano 0.817 SigAno_inner 1.006

in this case, dataset 1 is initially assigned to group 2. dataset 2 to group 4, dataset 3 to group3 and so forth. Fitness scores for that individual are then shown, as well as the individual components of the fitness function, and even the raw merging statistics..