Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30b7f00095b78f36f20f733eed2674c5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.372,
"b": 147.439,
"c": 99.338,
"alpha": 90.00,
"beta": 121.73,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,2.000],
"number_observations": 383187,
"number_observations_unique": 102184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 5097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 1.092
},
{
"type": "R(pim)",
"value": 0.566
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 5110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.897
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 5131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.756
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 5102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 5133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 5135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 5117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 5086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 5114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 5099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 5157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 5089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 5134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 5139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 5130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 5160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [100.000,5.430],
"number_observations_unique": 4849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}