Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9f53787b56efda593cd92e64cc9f00ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 442.553,
"b": 57.931,
"c": 84.463,
"alpha": 90.000,
"beta": 100.875,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.90,1.69],
"number_observations_unique": 139776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [19.9,5.51],
"number_observations_unique": 6989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.87,1.69],
"number_observations_unique": 6989,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.235
},
{
"type": "R(meas)",
"value": 1.330
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 61.5
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
}
]
}