Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5fcd17b7f820e9b502641fec68a95af",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 94.881,
"b": 94.951,
"c": 112.106,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03318],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.270,2.400],
"number_observations": 298839,
"number_observations_unique": 40325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 31129,
"number_observations_unique": 4154,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.556
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
},
{
"resolution_limits": [48.270,8.980],
"number_observations": 5566,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}