Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "009c441f0b51c5218a52b06d87b15ce1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.143,
"b": 39.241,
"c": 59.745,
"alpha": 90.0,
"beta": 104.4,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.48,1.95],
"number_observations": 63057,
"number_observations_unique": 18960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations": 4399,
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
}
]
}