Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dc9c0961d703c1345887b9c0557ba29",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.356,
"b": 99.356,
"c": 99.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.680,1.430],
"number_observations": 290263,
"number_observations_unique": 34494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 13815,
"number_observations_unique": 2394,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.214
},
{
"type": "R(meas)",
"value": 1.336
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [49.680,6.400],
"number_observations": 3880,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}