Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bd0b552c9c0c548119a63db632b7548",
"space_group_name": "P 1",
"unit_cell": {
"a": 33.02,
"b": 52.88,
"c": 55.47,
"alpha": 82.64,
"beta": 85.49,
"gamma": 71.85
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.900],
"number_observations_unique": 49812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [40,9.110],
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}