Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f014ffb9c88a6b0b45932cd621e05696",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.379,
"b": 117.663,
"c": 165.318,
"alpha": 90.00,
"beta": 90.29,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.220,1.8370],
"number_observations_unique": 173226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.837],
"number_observations_unique": 7824,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.407
},
{
"type": "R(meas)",
"value": 2.590
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [39.220,10.060],
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}