Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "377a2bedde69e181c31aa7cdab00b8f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.54,
"b": 60.51,
"c": 65.74,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.860,2.000],
"number_observations": 86613,
"number_observations_unique": 13553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 6417,
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.423
},
{
"type": "R(meas)",
"value": 1.544
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [37.860,8.940],
"number_observations": 1005,
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 57.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}