Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56ae3dfbefe08807d8366b76f488866e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.869,
"b": 81.869,
"c": 66.828,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.5,2.500],
"number_observations_unique": 9212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.213
},
{
"type": "R(meas)",
"value": 1.271
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.474
},
{
"type": "R(meas)",
"value": 2.256
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
}
]
}