Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b10c4bb0a8e2e27d86926a2a064267c0",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 167.57,
"b": 167.57,
"c": 142.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97864],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51,2.800],
"number_observations": 5534630,
"number_observations_unique": 49303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 39.440
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 101
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 354611,
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.106
},
{
"type": "R(meas)",
"value": 6.123
},
{
"type": "I/SigI",
"value": 1.660
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [2.950,2.870],
"number_observations": 413877,
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.983
},
{
"type": "R(meas)",
"value": 3.993
},
{
"type": "I/SigI",
"value": 2.820
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [3.040,2.950],
"number_observations": 409879,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.146
},
{
"type": "R(meas)",
"value": 3.153
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations": 395994,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.530
},
{
"type": "R(meas)",
"value": 2.536
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.230,3.130],
"number_observations": 389745,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.716
},
{
"type": "R(meas)",
"value": 1.720
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations": 365224,
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "I/SigI",
"value": 9.820
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 353217,
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "I/SigI",
"value": 14.210
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations": 336708,
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 19.260
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.780,3.610],
"number_observations": 310961,
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 25.840
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.960,3.780],
"number_observations": 276787,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 34.660
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.170,3.960],
"number_observations": 263870,
"number_observations_unique": 1529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 48.610
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.430,4.170],
"number_observations": 274771,
"number_observations_unique": 1456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 70.410
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.730,4.430],
"number_observations": 266454,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 76.910
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.110,4.730],
"number_observations": 246402,
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 90.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.600,5.110],
"number_observations": 224955,
"number_observations_unique": 1191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 79.570
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.260,5.600],
"number_observations": 196378,
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 76.260
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [7.230,6.260],
"number_observations": 165434,
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 93.370
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.850,7.230],
"number_observations": 125059,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 122.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [12.520,8.850],
"number_observations": 109883,
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 169.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [51,12.520],
"number_observations": 54421,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 152.140
},
{
"type": "Completeness",
"value": 97.600
}
]
}
]
}