Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "142bd887e16c7c0b12f7e5c0e5ea37d0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.105,
"b": 53.102,
"c": 46.274,
"alpha": 90.00,
"beta": 102.55,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.930,2.000],
"number_observations": 63972,
"number_observations_unique": 18397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 4797,
"number_observations_unique": 1336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [47.930,8.940],
"number_observations": 749,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}