Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d17563c050e379d65e54ef313282cf5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.82,
"b": 57.68,
"c": 114.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.220,1.790],
"number_observations": 213796,
"number_observations_unique": 33177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 15267,
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.228
},
{
"type": "R(meas)",
"value": 2.429
},
{
"type": "R(pim)",
"value": 0.957
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
},
{
"resolution_limits": [47.220,8.010],
"number_observations": 2606,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}