Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "190ff84ecc2c1cd83d79e14ec802cbc7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.952,
"b": 72.011,
"c": 115.589,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94640],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.530,2.100],
"number_observations": 133011,
"number_observations_unique": 19242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 10231,
"number_observations_unique": 1515,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.504
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [38.530,8.910],
"number_observations": 1762,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}