Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "404755186c9bcc5e30c20b225c11f799",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.225,
"b": 87.200,
"c": 88.732,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.405,1.707],
"number_observations_unique": 41889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [44.37,9.03],
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 22.2
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.74,1.71],
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
}
]
}