Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1cdf4e1de9280ff585513eb07f6c138",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.067,
"b": 46.175,
"c": 110.724,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.170,1.830],
"number_observations": 253996,
"number_observations_unique": 20633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 15322,
"number_observations_unique": 1231,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.143
},
{
"type": "R(meas)",
"value": 1.193
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [46.170,8.970],
"number_observations": 2230,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}