Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d29670db33bb3dbae7b0958e38a23d9b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.794,
"b": 82.979,
"c": 229.250,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.980,2.090],
"number_observations": 424072,
"number_observations_unique": 56718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.090],
"number_observations": 64732,
"number_observations_unique": 8155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.950
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [82.980,6.590],
"number_observations": 13424,
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}