Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e72bf89c05367bf7414d4d55cb13338",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.69,
"b": 73.18,
"c": 66.77,
"alpha": 90.00,
"beta": 99.75,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.930,2.300],
"number_observations": 144096,
"number_observations_unique": 20018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 13884,
"number_observations_unique": 1928,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.772
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [48.930,8.910],
"number_observations": 2513,
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}