Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bf95b538c9cf6654c41fc0baa4e673c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.429,
"b": 56.343,
"c": 102.060,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,3.010],
"number_observations": 42635,
"number_observations_unique": 6713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
"refln_shells": [
{
"resolution_limits": [3.090,3.010],
"number_observations": 3015,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.204
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [29.120,13.480],
"number_observations": 474,
"number_observations_unique": 90,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}