Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcc86a181f272f1ec01f4cc9b24c991b",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 51.170,
"b": 83.980,
"c": 96.355,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.180,2.880],
"number_observations_unique": 9904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.040,2.880],
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.043
},
{
"type": "R(meas)",
"value": 2.126
},
{
"type": "R(pim)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [48.180,9.110],
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}