Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b35b2b7cb7027c8eed336d3bdade2162",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.60,
"b": 103.15,
"c": 87.10,
"alpha": 90.00,
"beta": 101.18,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.610,2.800],
"number_observations": 91347,
"number_observations_unique": 30003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 6038,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
}
]
}