Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "899f89503d6a9ac05c9c470e21699355",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.536,
"b": 56.329,
"c": 101.914,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,2.100],
"number_observations": 123230,
"number_observations_unique": 19019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 8301,
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.057
},
{
"type": "R(meas)",
"value": 1.152
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [29.090,9.410],
"number_observations": 1502,
"number_observations_unique": 254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}