Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "accd2ff3692008d5af8987027de641a8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.586,
"b": 112.381,
"c": 62.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.550,1.700],
"number_observations_unique": 29654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 2083,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 63.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [66.550,9.000],
"number_observations": 420,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}