Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c119aa5e8d7c31edec15586b4e5fefc8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.738,
"b": 85.272,
"c": 85.487,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.130,2.000],
"number_observations_unique": 22253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 9012,
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.609
},
{
"type": "R(meas)",
"value": 1.774
},
{
"type": "R(pim)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [20.120,8.940],
"number_observations": 3044,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}