Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "803a112e1e5d29b726724ec7901ab405",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.40,
"b": 56.47,
"c": 101.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.9500,1.670],
"number_observations": 251782,
"number_observations_unique": 37692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 18761,
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [55.400,7.470],
"number_observations": 3060,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}