Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2b4a24be589290019ca633cf6acf9e7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.91,
"b": 81.74,
"c": 111.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.610,1.380],
"number_observations": 686282,
"number_observations_unique": 95297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 51679,
"number_observations_unique": 6977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [55.610,6.190],
"number_observations": 7770,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}