Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aaf9b1ccd82b5a327ddb90f0dabe487d",
"space_group_name": "P 1",
"unit_cell": {
"a": 30.281,
"b": 39.895,
"c": 57.456,
"alpha": 100.03,
"beta": 104.50,
"gamma": 90.18
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.710,1.150],
"number_observations": 96130,
"number_observations_unique": 55324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 61.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.150],
"number_observations": 1382,
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 1.280
},
{
"type": "R(pim)",
"value": 0.905
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 7.700
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [54.710,3.640],
"number_observations": 4573,
"number_observations_unique": 2564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}