Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3ada712d2fa780a38bf5e56a8b83bdd",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.454,
"b": 94.211,
"c": 117.297,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.650,1.080],
"number_observations_unique": 144857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.080],
"number_observations": 23783,
"number_observations_unique": 6068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.948
},
{
"type": "R(meas)",
"value": 1.093
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 52.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [58.640,4.830],
"number_observations": 12120,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}