Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccaa9b75c1336ea56798f41e835afd76",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.773,
"b": 306.596,
"c": 107.728,
"alpha": 90.000,
"beta": 94.264,
"gamma": 90.000
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.71,4.65],
"number_observations_unique": 31560,
"quality_factors": [
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [4.770,4.650],
"number_observations": 13313,
"number_observations_unique": 2317,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [53.710,20.800],
"number_observations": 2008,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}