Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "529fa5a6b2fff3df67787674693403ca",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 78.376,
"b": 107.085,
"c": 111.944,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [111.940,1.500],
"number_observations": 480384,
"number_observations_unique": 75050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 23799,
"number_observations_unique": 3630,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.497
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [111.940,8.220],
"number_observations": 3120,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}