Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78946af433c5da7c0586aeb5d9bce0a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.572,
"b": 60.784,
"c": 44.420,
"alpha": 90.00,
"beta": 109.67,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.830,1.3360],
"number_observations_unique": 44014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 8079,
"number_observations_unique": 1557,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.457
},
{
"type": "R(meas)",
"value": 1.621
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 68.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [41.830,7.320],
"number_observations": 1968,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}