Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e3c4fcc26d89512f58e1be44294ce1bd",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 80.37,
"b": 80.37,
"c": 70.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.60,2.30],
"number_observations_unique": 10321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [19.60,8.91],
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 63.0
},
{
"type": "Completeness",
"value": 91.4
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.636
},
{
"type": "R(meas)",
"value": 1.860
},
{
"type": "R(pim)",
"value": 0.873
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
}
]
}