Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37db0ab6c5c8e829effd0eb4a7e5acdc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.535,
"b": 56.506,
"c": 101.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.700],
"number_observations": 240605,
"number_observations_unique": 36097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 17232,
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.051
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [29.110,7.590],
"number_observations": 2957,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 65.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}