Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fffd636ea2a31e6d9e7b9b95064fe9a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 127.599,
"b": 141.107,
"c": 256.117,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.230,1.800],
"number_observations_unique": 397712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [57.230,9.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}