Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b8d0777d74f7f0926f21047ad0a36ec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.179,
"b": 81.397,
"c": 224.364,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.180,2.4080],
"number_observations_unique": 35930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.410],
"number_observations": 27456,
"number_observations_unique": 5144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "R(meas)",
"value": 0.846
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [112.180,7.620],
"number_observations": 9331,
"number_observations_unique": 1302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}