Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "770fa634a9c3c4a8347ca2473e9748d8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.926,
"b": 64.250,
"c": 74.724,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.810,1.980],
"number_observations": 124338,
"number_observations_unique": 30961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 7221,
"number_observations_unique": 1868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [34.810,9.070],
"number_observations": 1249,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}