Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b013068fb3f64039136d70e918a6a06a",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 116.24,
"b": 116.24,
"c": 50.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.120,2.350],
"number_observations": 148709,
"number_observations_unique": 14362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 12874,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "R(meas)",
"value": 0.550
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [46.120,9.100],
"number_observations": 3436,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}