Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0c071ff54f27f199c5fe2c2a9662d06",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.773,
"b": 116.487,
"c": 163.249,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.34,1.80],
"number_observations": 854322,
"number_observations_unique": 178635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.80],
"number_observations": 29535,
"number_observations_unique": 8638,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.110
},
{
"type": "R(meas)",
"value": 2.486
},
{
"type": "R(pim)",
"value": 1.291
},
{
"type": "I/SigI",
"value": 0.2
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.274
}
]
}
]
}