Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b99ee3943b3e8ee8422e17d7023ac820",
"space_group_name": "P 41",
"unit_cell": {
"a": 97.751,
"b": 97.751,
"c": 164.474,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.880,2.880],
"number_observations": 485839,
"number_observations_unique": 34600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.020,2.880],
"number_observations": 61055,
"number_observations_unique": 4402,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.509
},
{
"type": "R(meas)",
"value": 3.643
},
{
"type": "R(pim)",
"value": 0.971
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.214
}
]
},
{
"resolution_limits": [48.880,9.560],
"number_observations": 12934,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}