Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6d52137ec0128c3a858206f2b2aa663",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.267,
"b": 52.583,
"c": 44.535,
"alpha": 90.00,
"beta": 102.95,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.650,1.580],
"number_observations": 117502,
"number_observations_unique": 34692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4470,
"number_observations_unique": 1688,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.434
},
{
"type": "R(meas)",
"value": 1.771
},
{
"type": "R(pim)",
"value": 1.022
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.335
}
]
},
{
"resolution_limits": [54.650,8.650],
"number_observations": 855,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}