Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "765be7457d89645d7d8b730e4cd230f6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.011,
"b": 70.912,
"c": 106.466,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.440,2.000],
"number_observations": 240100,
"number_observations_unique": 27879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 19150,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [39.440,8.720],
"number_observations": 2924,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}