Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a6bb63c3645f2684a535753b375b290",
"space_group_name": "I 4",
"unit_cell": {
"a": 111.044,
"b": 111.044,
"c": 108.912,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.260,2.45],
"number_observations_unique": 24266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 19056,
"number_observations_unique": 2711,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.888
},
{
"type": "R(meas)",
"value": 2.036
},
{
"type": "R(pim)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [39.260,8.830],
"number_observations": 3577,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}