Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6b88c0201e858a3ce24c1bf3f60fbf8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 63.406,
"b": 145.885,
"c": 54.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.940,2.530],
"number_observations_unique": 17576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.630,2.530],
"number_observations": 12461,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.134
},
{
"type": "R(meas)",
"value": 2.305
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [72.940,9.100],
"number_observations": 5005,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}