Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a804a8f902c620ea09a97300ee2f22bd",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 120.35,
"b": 120.35,
"c": 33.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97943],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.820,1.990],
"number_observations": 223127,
"number_observations_unique": 17617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 15859,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [53.820,8.900],
"number_observations": 2382,
"number_observations_unique": 256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 65.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}