Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb7f7416adde32d2f5efd917b90c2690",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.832,
"b": 133.200,
"c": 147.089,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [133.20,2.62],
"number_observations_unique": 43095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [133.20,9.80],
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.72,2.62],
"number_observations_unique": 4611,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.803
},
{
"type": "R(meas)",
"value": 3.011
},
{
"type": "R(pim)",
"value": 1.098
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Redundancy",
"value": 14.4
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
}
]
}