Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cae6f0b806ed3bcc0c63e192e2181f9e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.839,
"b": 151.003,
"c": 68.211,
"alpha": 90.00,
"beta": 112.29,
"gamma": 90.00
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.120,2.2690],
"number_observations_unique": 25647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 90.6
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.444,2.269],
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.274
},
{
"type": "R(meas)",
"value": 2.746
},
{
"type": "R(pim)",
"value": 1.523
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 19.5
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.214
}
]
},
{
"resolution_limits": [63.115,6.761],
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}