Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3e0f8129da29d5b79b2a5fbdfc52cf5",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 69.186,
"b": 73.079,
"c": 40.466,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.466,1.430],
"number_observations": 274292,
"number_observations_unique": 38774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 11.980
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.074
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.430],
"number_observations": 41640,
"number_observations_unique": 5994,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.456
},
{
"type": "R(meas)",
"value": 1.575
},
{
"type": "I/SigI",
"value": 1.350
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.947
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [1.620,1.510],
"number_observations": 41742,
"number_observations_unique": 5858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.847
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.126
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [1.750,1.620],
"number_observations": 38957,
"number_observations_unique": 5445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.155
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.910,1.750],
"number_observations": 36095,
"number_observations_unique": 5024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 7.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.185
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.140,1.910],
"number_observations": 32864,
"number_observations_unique": 4586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.166
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.470,2.140],
"number_observations": 28990,
"number_observations_unique": 4054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 19.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.151
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.020,2.470],
"number_observations": 24713,
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 25.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.108
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.260,3.020],
"number_observations": 18925,
"number_observations_unique": 2727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 34.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.940
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.466,4.260],
"number_observations": 10365,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.750
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.446
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}