Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e08e0967c8a4b4f5493230c7e26ad81",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 58.32,
"b": 94.63,
"c": 51.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.320,1.100],
"number_observations_unique": 116357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations_unique": 5672,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.077
},
{
"type": "R(meas)",
"value": 1.130
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [47.320,6.020],
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}