Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1557c8f86e80917fd1fc35360c489b66",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.378,
"b": 64.382,
"c": 128.130,
"alpha": 90.00,
"beta": 112.61,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.330,2.050],
"number_observations_unique": 47060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 3586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [46.330,8.940],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}