Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "271ffda5996a166e2f7d53387497e438",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.514,
"b": 135.514,
"c": 235.734,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.75,2.200],
"number_observations": 427877,
"number_observations_unique": 81908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.224
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 32090,
"number_observations_unique": 6100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.415
},
{
"type": "R(meas)",
"value": 1.573
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.261
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 29719,
"number_observations_unique": 5863,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.095
},
{
"type": "R(meas)",
"value": 1.223
},
{
"type": "I/SigI",
"value": 1.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.069
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 29023,
"number_observations_unique": 5742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "I/SigI",
"value": 2.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.055
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 30032,
"number_observations_unique": 5615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 2.630
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.349
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 29146,
"number_observations_unique": 5384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 3.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.413
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 28021,
"number_observations_unique": 5210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 4.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.378
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 26720,
"number_observations_unique": 5052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.289
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 24801,
"number_observations_unique": 4907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.054
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 23832,
"number_observations_unique": 4626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.152
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 24192,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 10.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.456
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 22753,
"number_observations_unique": 4228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 13.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.382
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 21432,
"number_observations_unique": 4047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 18.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.296
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 18542,
"number_observations_unique": 3731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 22.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.970
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 18083,
"number_observations_unique": 3507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.156
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 17127,
"number_observations_unique": 3222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 32.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.316
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 15139,
"number_observations_unique": 2913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 35.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.197
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 12515,
"number_observations_unique": 2579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 33.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.853
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 11536,
"number_observations_unique": 2167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 34.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.323
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 8582,
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 43.880
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.142
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.750,9.840],
"number_observations": 4592,
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 49.840
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.035
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}