Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f045ecb28022eec20a94943f24e09019",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.910,
"b": 68.656,
"c": 94.402,
"alpha": 89.65,
"beta": 76.00,
"gamma": 88.99
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.130,2.200],
"number_observations": 474125,
"number_observations_unique": 61757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.200],
"number_observations": 31749,
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.628
},
{
"type": "R(meas)",
"value": 1.749
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [38.130,9.830],
"number_observations": 5290,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}