Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b51f475a13469ed514e6027be1da4bfc",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 83.540,
"b": 82.210,
"c": 110.734,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97996],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.77,1.090],
"number_observations_unique": 137896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.090],
"number_observations": 16963,
"number_observations_unique": 6254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 41.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [41.770,4.240],
"number_observations": 18433,
"number_observations_unique": 2867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}