Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c4616b88c6c2f5725d8820b1c8b3e25",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.398,
"b": 52.995,
"c": 46.615,
"alpha": 90.00,
"beta": 102.72,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.790,1.550],
"number_observations": 270384,
"number_observations_unique": 39266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 13666,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.349
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [47.790,8.490],
"number_observations": 1696,
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}