Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3cbf804ec751bd3a5e5e6ee1f7474019",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.428,
"b": 112.096,
"c": 62.491,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.410,1.400],
"number_observations_unique": 57255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 35189,
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [66.410,7.670],
"number_observations": 4649,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}