Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2aacf84a8fc72d73bcf02c51fb187b6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.2,
"b": 57.8,
"c": 58.6,
"alpha": 90.0,
"beta": 91.2,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.69,3.0],
"number_observations": 35354,
"number_observations_unique": 6805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.66
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "I/SigI",
"value": 2.47
},
{
"type": "Completeness",
"value": 85.7
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
"refln_shells": [
{
"resolution_limits": [3.44,3.00],
"number_observations": 6335,
"number_observations_unique": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.585
},
{
"type": "I/SigI",
"value": 1.16
},
{
"type": "CC(1/2)",
"value": 0.275
}
]
},
{
"resolution_limits": [4.33,3.44],
"number_observations": 13080,
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 2.43
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [30.69,4.33],
"number_observations": 15939,
"number_observations_unique": 2581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 3.47
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
}
]
}