Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "613cceb39c0c004cb37aa94c38a97926",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.533,
"b": 84.802,
"c": 88.034,
"alpha": 90.00,
"beta": 131.19,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.420,1.310],
"number_observations_unique": 119910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 71.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.456
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.270
}
]
},
{
"resolution_limits": [42.420,3.560],
"number_observations_unique": 8600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 43.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}