Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1e178ae9514dd7b1721e2f220cb0510",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.20,
"b": 82.19,
"c": 93.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.870,2.150],
"number_observations": 142606,
"number_observations_unique": 22606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 12214,
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [39.870,8.860],
"number_observations": 2021,
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}