Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e811b9e815621493dc27fc7b6216dad",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 165.992,
"b": 215.878,
"c": 146.368,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.020,4.100],
"number_observations": 133260,
"number_observations_unique": 20685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 8.390
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.442
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [4.210,4.100],
"number_observations": 7562,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.877
},
{
"type": "R(meas)",
"value": 4.237
},
{
"type": "I/SigI",
"value": 0.410
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 5.871
},
{
"type": "CC(1/2)",
"value": 0.274
}
]
},
{
"resolution_limits": [4.330,4.210],
"number_observations": 10098,
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.251
},
{
"type": "R(meas)",
"value": 3.526
},
{
"type": "I/SigI",
"value": 0.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.732
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
},
{
"resolution_limits": [4.450,4.330],
"number_observations": 9416,
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.022
},
{
"type": "R(meas)",
"value": 2.198
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.485
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [4.590,4.450],
"number_observations": 9684,
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.483
},
{
"type": "R(meas)",
"value": 1.604
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.897
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [4.740,4.590],
"number_observations": 9389,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.112
},
{
"type": "R(meas)",
"value": 1.204
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.833
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [4.910,4.740],
"number_observations": 8854,
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.754
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [5.090,4.910],
"number_observations": 8528,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.763
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [5.300,5.090],
"number_observations": 8115,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.539
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [5.530,5.300],
"number_observations": 7617,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 4.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.363
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [5.800,5.530],
"number_observations": 7415,
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [6.120,5.800],
"number_observations": 7038,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.499
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [6.490,6.120],
"number_observations": 6977,
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 9.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.754
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [6.940,6.490],
"number_observations": 6356,
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 12.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.621
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.490,6.940],
"number_observations": 5681,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 17.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.333
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.210,7.490],
"number_observations": 4841,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.798
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.180,8.210],
"number_observations": 4463,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 27.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.865
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.600,9.180],
"number_observations": 4184,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 29.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.162
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.980,10.600],
"number_observations": 3351,
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.798
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [18.360,12.980],
"number_observations": 2419,
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 29.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.236
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.020,18.360],
"number_observations": 1272,
"number_observations_unique": 252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 29.490
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 5.048
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}