Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "17bae9d9f852993fc3a0e1e4e652e320",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 123.773,
"b": 123.773,
"c": 127.490,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [127.49,2.06],
"number_observations_unique": 61736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [127.49,9.21],
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 23.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.11,2.06],
"number_observations_unique": 4493,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.136
},
{
"type": "R(meas)",
"value": 3.246
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 29.3
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
}
]
}