Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbe3dd3ae4a18c8e27b4c8a55289be8d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.10,
"b": 82.36,
"c": 93.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.850,2.150],
"number_observations": 142577,
"number_observations_unique": 22636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 12149,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [39.850,8.860],
"number_observations": 2018,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}