Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15f2d4cfe6c887bdcfbb818f272bbcf2",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.996,
"b": 82.996,
"c": 88.123,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42,1.400],
"number_observations_unique": 69390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [42,7.670],
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 102.4
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}