Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc8ac1d7539d4a1ec0f6bd8bf41d52f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.02,
"b": 76.38,
"c": 83.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.950,1.500],
"number_observations_unique": 40624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [41.950,8.220],
"number_observations_unique": 87,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 23.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
}
]
}