Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42dc6c1a9818fc4affaaf9e2f291e85f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 187.413,
"b": 38.573,
"c": 95.990,
"alpha": 90.00,
"beta": 105.11,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.67,1.3],
"number_observations_unique": 108443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 1.38
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [2.76,2.25],
"number_observations_unique": 12235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "CC(1/2)",
"value": 0.5710000000000001
}
]
},
{
"resolution_limits": [3.89,2.76],
"number_observations_unique": 11245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.35200000000000004
},
{
"type": "CC(1/2)",
"value": 0.9740000000000001
}
]
},
{
"resolution_limits": [3.92,3.89],
"number_observations_unique": 6362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}