Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17a39ca2fc3216c2916f91bd59e0353d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.110,
"b": 80.101,
"c": 119.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.750,1.950],
"number_observations": 551863,
"number_observations_unique": 45665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 39046,
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.952
},
{
"type": "R(pim)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.482
}
]
},
{
"resolution_limits": [19.750,8.940],
"number_observations": 5053,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}