Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d0381a92efafa9fe0af196b951594f5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.175,
"b": 96.477,
"c": 57.727,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.560,1.710],
"number_observations": 110426,
"number_observations_unique": 25278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 5827,
"number_observations_unique": 1323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [42.560,9.050],
"number_observations": 866,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 46.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}