Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42d2428a49940c9a8c13acf7f2fe4493",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 159.22,
"b": 159.22,
"c": 121.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.97,3.200],
"number_observations_unique": 28434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.390,3.200],
"number_observations_unique": 4208,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.309
},
{
"type": "R(meas)",
"value": 2.451
},
{
"type": "R(pim)",
"value": 0.792
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [29.970,9.600],
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}