Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f322793fb5e67e632999d8cdf895859b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.410,
"b": 27.046,
"c": 55.646,
"alpha": 90.00,
"beta": 100.09,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.790,1.370],
"number_observations": 71485,
"number_observations_unique": 25527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 3419,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 1.211
},
{
"type": "R(pim)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.118
}
]
},
{
"resolution_limits": [54.790,6.130],
"number_observations": 953,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}