Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a02f444cb7a65db03ca4de315e281c24",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.470,
"b": 57.450,
"c": 49.858,
"alpha": 90.00,
"beta": 112.47,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,1.950],
"number_observations": 68418,
"number_observations_unique": 19345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 4951,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [48.990,8.940],
"number_observations": 756,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}