Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b66ed139f0b2c9ec98ccc8c992ddbe75",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 24.628,
"b": 46.178,
"c": 28.320,
"alpha": 90.000,
"beta": 115.616,
"gamma": 90.000
},
"wavelengths": [0.68879],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.09,0.878],
"number_observations_unique": 45563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [0.893,0.878],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.280
},
{
"type": "R(meas)",
"value": 1.483
},
{
"type": "R(pim)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.286
}
]
}
]
}