Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a89e68ff1513e0bf512c8b45f42af24b",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 90.348,
"b": 90.348,
"c": 506.380,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.830,2.400],
"number_observations_unique": 31958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 52803,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.752
},
{
"type": "R(meas)",
"value": 2.843
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [39.830,8.980],
"number_observations": 9035,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}