Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb9fb78496700c520110a71ded9cc37a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 125.161,
"b": 196.852,
"c": 110.605,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.680,2.300],
"number_observations": 455430,
"number_observations_unique": 60854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 33643,
"number_observations_unique": 4461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [38.680,10.290],
"number_observations": 4807,
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}