Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9b69785f97f5f5e825ebb923c8f8fb7",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.96,
"b": 89.39,
"c": 100.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.090,1.380],
"number_observations": 655623,
"number_observations_unique": 59993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 17202,
"number_observations_unique": 3857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [55.090,6.170],
"number_observations": 8543,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}