Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebb044b23d82d3ab345e9a6d210004a3",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 65.097,
"b": 119.271,
"c": 66.140,
"alpha": 90.00,
"beta": 92.85,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.820,2.050],
"number_observations": 87563,
"number_observations_unique": 31011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 4470,
"number_observations_unique": 2186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [27.820,8.940],
"number_observations": 1069,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}