Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2709bd39678ddff5fb0fd1479ef5b02a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.27,
"b": 53.26,
"c": 45.46,
"alpha": 90.00,
"beta": 102.82,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.1,2.300],
"number_observations_unique": 9032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 2697,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [48.050,8.910],
"number_observations": 464,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 71.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}