Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8071499fc3d5b2abbf5636e3fe9de3a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.671,
"b": 52.715,
"c": 44.725,
"alpha": 90.00,
"beta": 102.96,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.880,1.530],
"number_observations": 123482,
"number_observations_unique": 38254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 4199,
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.267
},
{
"type": "R(meas)",
"value": 1.614
},
{
"type": "R(pim)",
"value": 0.983
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [54.880,8.380],
"number_observations": 959,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}