Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8098410c0f75a6cd28f45d38e6dead74",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.127,
"b": 89.186,
"c": 100.274,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.140,2.270],
"number_observations": 99376,
"number_observations_unique": 13258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 15633,
"number_observations_unique": 1991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [50.140,7.170],
"number_observations": 3377,
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
}
]
}