Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc23d5cb65511bd12c005d99ada16e71",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.588,
"b": 72.184,
"c": 80.806,
"alpha": 100.89,
"beta": 97.58,
"gamma": 115.16
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.060,2.403],
"number_observations": 164247,
"number_observations_unique": 47577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.444,2.403],
"number_observations": 6806,
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [36.060,6.509],
"number_observations": 8233,
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}