Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "738a906a4d547268d88253abb535b3b7",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.530,
"b": 95.530,
"c": 45.761,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.550,1.320],
"number_observations": 556728,
"number_observations_unique": 48506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 10548,
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.968
},
{
"type": "R(meas)",
"value": 3.346
},
{
"type": "R(pim)",
"value": 1.523
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
},
{
"resolution_limits": [67.550,7.230],
"number_observations": 3909,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 81.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}