Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de002d1ed46856744fec799bd5e88006",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.604,
"b": 80.630,
"c": 150.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.410,2.700],
"number_observations": 555326,
"number_observations_unique": 20291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 63.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 57706,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.849
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.221
}
]
},
{
"resolution_limits": [47.410,8.950],
"number_observations": 13551,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 503.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}