Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b2caef43ea4ad0e15c9ac408a6d16cf",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.889,
"b": 57.889,
"c": 184.653,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.450,1.400],
"number_observations_unique": 31551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 40363,
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.333
},
{
"type": "R(meas)",
"value": 2.379
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.300
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [37.420,7.670],
"number_observations": 5624,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 113.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}