Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71e102891fa1d970d865455fb4da3af6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 157.331,
"b": 137.518,
"c": 101.448,
"alpha": 90.0,
"beta": 98.5,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.988,3.100],
"number_observations": 97120,
"number_observations_unique": 36869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.240,3.100],
"number_observations": 11763,
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(pim)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [48.320,10.750],
"number_observations": 2142,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}