Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acf129787a0bfedf24d0dfbb63b50858",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 71.40,
"b": 74.88,
"c": 127.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.530,2.160],
"number_observations": 131173,
"number_observations_unique": 18649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 11173,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [63.530,8.910],
"number_observations": 1747,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}