Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1cb8ab53bc8fc3179f3e44025810911",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.400,
"b": 112.101,
"c": 62.622,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.580,1.750],
"number_observations_unique": 28879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4241,
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [25.580,9.090],
"number_observations": 1161,
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}