Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25b24119fbc24fcb0442cad6b503e8a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.312,
"b": 68.488,
"c": 111.630,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.910,2.150],
"number_observations": 84955,
"number_observations_unique": 25369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 3121,
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 66.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [27.910,8.860],
"number_observations": 1320,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 64.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}