Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12ff4385ae9387610247236bcba5c293",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.60,
"b": 45.30,
"c": 83.24,
"alpha": 90.00,
"beta": 102.47,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.640,1.980],
"number_observations": 108660,
"number_observations_unique": 29949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 7663,
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [40.640,8.860],
"number_observations": 1352,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}