Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b91bd89bc1cb2d2b63062b5aa69de5dc",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 84.376,
"b": 45.393,
"c": 106.334,
"alpha": 90.00,
"beta": 111.16,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.3700,2.600],
"number_observations_unique": 11812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 10378,
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.319
},
{
"type": "R(meas)",
"value": 1.422
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [39.340,9.010],
"number_observations": 2086,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}