Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc2198f8e2b0a15dfc7188ef8d18d753",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.55,
"b": 79.53,
"c": 89.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.260,1.320],
"number_observations": 675213,
"number_observations_unique": 105354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.320],
"number_observations": 42165,
"number_observations_unique": 7714,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.569
},
{
"type": "R(meas)",
"value": 1.737
},
{
"type": "R(pim)",
"value": 0.738
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [51.260,5.900],
"number_observations": 8289,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}