Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ba0c39c299fc707c30c716d253026dc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.83,
"b": 48.44,
"c": 77.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.420,2.300],
"number_observations": 29759,
"number_observations_unique": 6577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 2658,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [77.420,8.910],
"number_observations": 497,
"number_observations_unique": 135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}