Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88cb3d471a7222b997592ad6af62da5b",
"space_group_name": "I 4",
"unit_cell": {
"a": 167.884,
"b": 167.884,
"c": 95.313,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 207931,
"number_observations_unique": 45463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 2243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 2240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 2270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 2278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 2278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 2308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 2259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 2317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 2268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 2303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 2326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}