Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4edc01f97e085f7097606aa8dc45b2a",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 61.917,
"b": 139.033,
"c": 197.909,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.150,1.400],
"number_observations": 1103933,
"number_observations_unique": 166379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 55838,
"number_observations_unique": 8147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [45.150,7.670],
"number_observations": 7498,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}