Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c110f817bc87772f49a21ce3f24bd97",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.884,
"b": 96.805,
"c": 57.901,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.480,2.150],
"number_observations_unique": 12723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 5774,
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [42.480,8.870],
"number_observations": 1053,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}