Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ec4fb3b732e9e8b207f0f680548bc8e",
"space_group_name": "P 1",
"unit_cell": {
"a": 58.830,
"b": 79.124,
"c": 92.539,
"alpha": 76.26,
"beta": 81.16,
"gamma": 71.13
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.510,2.600],
"number_observations": 183621,
"number_observations_unique": 46056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.600],
"number_observations": 18003,
"number_observations_unique": 4515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 1.059
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [45.510,10.070],
"number_observations": 3028,
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}