Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d58694da47ee9f8783cb73445d94ea40",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.671,
"b": 83.203,
"c": 217.701,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.130,2.400],
"number_observations": 395923,
"number_observations_unique": 37950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 37695,
"number_observations_unique": 3726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.622
},
{
"type": "R(meas)",
"value": 1.709
},
{
"type": "R(pim)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [42.130,8.980],
"number_observations": 9143,
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}