Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d31e63c2e2251871044fe1e12a092a8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 67.449,
"b": 128.426,
"c": 163.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.230,1.620],
"number_observations_unique": 89938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.620],
"number_observations_unique": 8718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 0.971
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [48.230,6.270],
"number_observations_unique": 1703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}