Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfb6d2a6a9c1a96d91b83c53c8235c4e",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 169.327,
"b": 169.327,
"c": 169.327,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.880,3.100],
"number_observations_unique": 14815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 26981,
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.272
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [48.880,8.770],
"number_observations": 6545,
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}