Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4cb4c84a2a57ad00cd6f566d05a2221",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.35,
"b": 97.68,
"c": 101.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.350,1.300],
"number_observations": 1548512,
"number_observations_unique": 127681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations_unique": 3754,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.404
},
{
"type": "R(meas)",
"value": 1.520
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "Completeness",
"value": 56.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [49.219,7.120],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}