Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecfe379b1341e8ecc1f6c3db10534417",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.571,
"b": 86.238,
"c": 172.225,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.790,1.250],
"number_observations": 4505463,
"number_observations_unique": 345072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 178863,
"number_observations_unique": 16564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.943
},
{
"type": "R(meas)",
"value": 0.989
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [47.790,6.850],
"number_observations": 31013,
"number_observations_unique": 2361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}