Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cea49aa4a32722a39025e6592c28069",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.744,
"b": 53.544,
"c": 113.423,
"alpha": 90.00,
"beta": 101.25,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.250,2.000],
"number_observations": 246030,
"number_observations_unique": 36653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 18758,
"number_observations_unique": 2679,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [48.250,8.940],
"number_observations": 2758,
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}