Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "455fddae00f126b1e7d50433f02262ee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.923,
"b": 70.179,
"c": 57.750,
"alpha": 90.00,
"beta": 93.07,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.220,2.130],
"number_observations": 166511,
"number_observations_unique": 24130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.130],
"number_observations": 14393,
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.983
},
{
"type": "R(meas)",
"value": 4.299
},
{
"type": "R(pim)",
"value": 1.604
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [70.220,8.790],
"number_observations": 2244,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}