Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "644aae86cefe59861ce5d1e9649b7808",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 186.515,
"b": 186.515,
"c": 252.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.26,2.9],
"number_observations_unique": 21186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 17.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.12,2.9],
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.36
},
{
"type": "R(meas)",
"value": 2.421
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 71.7
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [48.26,9.97],
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 61.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 16.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}