Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "749f5b5eb8b9fe912252fbdcb736bbd8",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.42,
"b": 77.42,
"c": 71.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.650,1.520],
"number_observations": 762343,
"number_observations_unique": 34139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 20653,
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.157
},
{
"type": "R(meas)",
"value": 1.231
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [52.650,6.800],
"number_observations": 10795,
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}