Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98621af3f7f40b3513748c5d91007dfc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 47.899,
"b": 103.750,
"c": 101.588,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.875,2.590],
"number_observations_unique": 8193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.590],
"number_observations": 3615,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.169
},
{
"type": "R(pim)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [51.800,11.580],
"number_observations": 548,
"number_observations_unique": 114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
}
]
}