Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8afbf89cbe5a678ac04b0c4c018ba73",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.251,
"b": 52.644,
"c": 44.300,
"alpha": 90.00,
"beta": 102.84,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.750,1.530],
"number_observations": 122668,
"number_observations_unique": 37628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 4131,
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.367
},
{
"type": "R(meas)",
"value": 1.688
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [54.750,8.380],
"number_observations": 945,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}