Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "725d4b95ec66d1dedcc106a8c15393fa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.197,
"b": 93.051,
"c": 149.680,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.530,1.800],
"number_observations": 482264,
"number_observations_unique": 82325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 25785,
"number_observations_unique": 4435,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.551
},
{
"type": "R(pim)",
"value": 1.140
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.259
}
]
},
{
"resolution_limits": [46.530,9.350],
"number_observations": 3568,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}