Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6054c40bf9769770fa58ec66d60a8a84",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.881,
"b": 56.712,
"c": 102.113,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.180,1.870],
"number_observations": 179303,
"number_observations_unique": 27337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 12964,
"number_observations_unique": 1943,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.248
},
{
"type": "R(meas)",
"value": 1.352
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [29.180,8.370],
"number_observations": 2222,
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 72.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}