Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbda649a9715bb6909e42ddd414b7700",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 174.060,
"b": 177.247,
"c": 230.773,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.540,2.100],
"number_observations": 2613407,
"number_observations_unique": 412225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 128611,
"number_observations_unique": 20243,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.000
},
{
"type": "R(pim)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [48.540,11.500],
"number_observations": 16102,
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}