Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82846f528550ef92b5ed13399bbb9fac",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.17,
"b": 101.83,
"c": 140.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.850,2.200],
"number_observations": 470099,
"number_observations_unique": 39456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 41427,
"number_observations_unique": 3356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [47.850,9.070],
"number_observations": 6869,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}