Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "984e0d330dba48a8cf27ee8c3fb2f22d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.068,
"b": 52.046,
"c": 68.936,
"alpha": 90.00,
"beta": 95.29,
"gamma": 90.00
},
"wavelengths": [0.97954,0.91837,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.597,1.55],
"number_observations_unique": 48566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 93.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.61,1.55],
"number_observations": 15719,
"number_observations_unique": 9516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 89.00
}
]
},
{
"resolution_limits": [1.67,1.61],
"number_observations": 14225,
"number_observations_unique": 8572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 93.30
}
]
},
{
"resolution_limits": [1.75,1.67],
"number_observations": 16068,
"number_observations_unique": 9709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 93.90
}
]
},
{
"resolution_limits": [1.84,1.75],
"number_observations": 15051,
"number_observations_unique": 9080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 94.20
}
]
},
{
"resolution_limits": [1.95,1.84],
"number_observations": 14582,
"number_observations_unique": 8857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 94.10
}
]
},
{
"resolution_limits": [2.10,1.95],
"number_observations": 15532,
"number_observations_unique": 9433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 94.60
}
]
},
{
"resolution_limits": [2.31,2.10],
"number_observations": 15360,
"number_observations_unique": 9393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 94.60
}
]
},
{
"resolution_limits": [2.65,2.31],
"number_observations": 15739,
"number_observations_unique": 9595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 94.90
}
]
},
{
"resolution_limits": [3.33,2.65],
"number_observations": 15138,
"number_observations_unique": 9262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 94.40
}
]
},
{
"resolution_limits": [27.597,3.33],
"number_observations": 14875,
"number_observations_unique": 9124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.4
},
{
"type": "Completeness",
"value": 91.30
}
]
}
]
}