Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cb93039a14f846441e0aef2a2b700444",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.083,
"b": 46.322,
"c": 63.609,
"alpha": 90.0,
"beta": 95.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.8,1.58],
"number_observations_unique": 29771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [39.800,4.286],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 89.3
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.607,1.580],
"number_observations_unique": 1553,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.437
},
{
"type": "R(meas)",
"value": 1.627
},
{
"type": "R(pim)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.371
}
]
}
]
}