Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0791e870be28153b793f4f171d261c56",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.636,
"b": 52.957,
"c": 44.541,
"alpha": 90.0,
"beta": 102.8,
"gamma": 90.0
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.930,1.520],
"number_observations": 111299,
"number_observations_unique": 38237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 3673,
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(meas)",
"value": 1.316
},
{
"type": "R(pim)",
"value": 0.816
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.426
}
]
},
{
"resolution_limits": [54.930,8.330],
"number_observations": 888,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}