Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5af4d4d1d6c83cfd42a72abffb2f6037",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 45.186,
"b": 52.987,
"c": 113.006,
"alpha": 90.0,
"beta": 100.5,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.210,2.050],
"number_observations_unique": 16446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 3651,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [26.200,8.940],
"number_observations": 436,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
}
]
}