Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11decadf418e9b424597d273979e68f5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 44.271,
"b": 56.802,
"c": 76.623,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.312,1.300],
"number_observations_unique": 24160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 15369,
"number_observations_unique": 1216,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.150
},
{
"type": "R(meas)",
"value": 1.199
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [38.310,7.000],
"number_observations": 1777,
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 80.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}