Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "991a8bcc7e56c7dd70e49477efc7d85c",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 160.742,
"b": 59.965,
"c": 63.499,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.371,2.345],
"number_observations": 105869,
"number_observations_unique": 15991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.592,2.345],
"number_observations": 4526,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.247
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 55.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [80.371,7.855],
"number_observations": 4547,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}