Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4cda5bdcd961daff715ea82d1611fe7",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.081,
"b": 58.937,
"c": 93.551,
"alpha": 86.43,
"beta": 75.08,
"gamma": 63.25
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.220,2.230],
"number_observations": 159976,
"number_observations_unique": 42070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.230],
"number_observations": 24095,
"number_observations_unique": 6226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [90.220,7.050],
"number_observations": 4931,
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}