Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a54948bf6a024923f7ac304eca5ab011",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 224.241,
"b": 224.241,
"c": 224.241,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.37623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [129.470,1.915],
"number_observations_unique": 284806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 39.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.920],
"number_observations": 1665919,
"number_observations_unique": 41439,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.604
},
{
"type": "R(meas)",
"value": 1.625
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 40.200
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [129.470,6.060],
"number_observations": 362861,
"number_observations_unique": 9410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 38.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}