Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56eb45f773f52e929cd0ee6ab5cf6758",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.12,
"b": 111.08,
"c": 138.09,
"alpha": 90.0,
"beta": 117.4,
"gamma": 90.0
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.640,1.980],
"number_observations": 473225,
"number_observations_unique": 130599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 21724,
"number_observations_unique": 6381,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.358
},
{
"type": "R(pim)",
"value": 0.847
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [62.640,10.840],
"number_observations": 2846,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}