Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a27d073cbcb9fa5e3d1cfe7f41b1a522",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.399,
"b": 192.747,
"c": 225.071,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.800,3.310],
"number_observations": 1137231,
"number_observations_unique": 55199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.310],
"number_observations": 94099,
"number_observations_unique": 4464,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.616
},
{
"type": "R(pim)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
},
{
"resolution_limits": [48.800,14.340],
"number_observations": 12575,
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 124.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}