Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9ebcbcc977774846cc8ec3a2a0ce19de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.457,
"b": 78.895,
"c": 78.120,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.89,2.60],
"number_observations": 97804,
"number_observations_unique": 17992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.67,2.60],
"number_observations": 7094,
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(meas)",
"value": 1.227
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
}
]
}