Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4c5f15e86c97bf3a073d9a3452a1a92",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 162.349,
"b": 68.849,
"c": 77.215,
"alpha": 90.00,
"beta": 117.63,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.58,2.29],
"number_observations_unique": 34135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.75
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.372,2.29],
"number_observations_unique": 3336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.892
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.31
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
}
]
}