Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d32c8311f3c5fb19238abc33788a868",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.234,
"b": 78.339,
"c": 102.155,
"alpha": 90.00,
"beta": 111.74,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.650,1.800],
"number_observations": 1856780,
"number_observations_unique": 64672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 90786,
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.749
},
{
"type": "R(pim)",
"value": 0.765
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.600
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [58.650,9.000],
"number_observations": 14826,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 84.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 26.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}