Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "def666d61c01259104e3207ccef8ebcd",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 33.649,
"b": 54.502,
"c": 101.943,
"alpha": 90.0,
"beta": 98.4,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,2.400],
"number_observations_unique": 12879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 2131,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.786
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [47.950,8.980],
"number_observations": 357,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}