Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b84cec25f618ab46ce8a393ffbd47d7d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.26,
"b": 90.92,
"c": 98.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.000,1.550],
"number_observations": 531309,
"number_observations_unique": 44126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 30566,
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.097
},
{
"type": "R(meas)",
"value": 1.160
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [31.000,6.930],
"number_observations": 5539,
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}