Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6a06155eb0daa85de48a38a3b412a90",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 74.234,
"b": 74.234,
"c": 174.578,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.640,1.450],
"number_observations": 416910,
"number_observations_unique": 95055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 10505,
"number_observations_unique": 3831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [43.640,7.940],
"number_observations": 3497,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 49.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}