Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "732a45727f591d4facce6bcb407a3ab5",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.177,
"b": 89.549,
"c": 100.432,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.840,1.780],
"number_observations": 188153,
"number_observations_unique": 28431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.780],
"number_observations": 9742,
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [66.840,5.620],
"number_observations": 7688,
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}