Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "094f387fa6349cabb8fdad19106614e2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.416,
"b": 27.464,
"c": 38.423,
"alpha": 90.00,
"beta": 96.37,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.860,1.250],
"number_observations": 90554,
"number_observations_unique": 30191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations": 9457,
"number_observations_unique": 4023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [55.860,3.950],
"number_observations": 3251,
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}