Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c51bf27dd62805443bf110ad02da89b5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 94.164,
"b": 135.415,
"c": 191.592,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320,0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.103,3.65],
"number_observations_unique": 27912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.33
},
{
"type": "Completeness",
"value": 97.77
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.78,3.65],
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.002
},
{
"type": "R(meas)",
"value": 2.146
},
{
"type": "R(pim)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 1.11
},
{
"type": "Completeness",
"value": 97.54
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [4.21,3.90],
"number_observations_unique": 4675,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.852
},
{
"type": "R(meas)",
"value": 1.945
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.586
}
]
}
]
}