Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05314169be158f1e6f4606f3bd9d32da",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 69.607,
"b": 110.166,
"c": 132.604,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97886],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.200,2.740],
"number_observations": 77328,
"number_observations_unique": 13354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.740],
"number_observations": 6663,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 78.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [44.200,9.090],
"number_observations": 2200,
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}