Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dec5487582b67e23a26e8614bd098042",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 89.333,
"b": 89.333,
"c": 140.797,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.020,3.000],
"number_observations": 150101,
"number_observations_unique": 12014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 25153,
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.391
},
{
"type": "R(meas)",
"value": 2.486
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [47.020,9.000],
"number_observations": 5165,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}