Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "495092b923faed4e2939817fb4458fa3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.683,
"b": 63.565,
"c": 79.892,
"alpha": 90.00,
"beta": 92.59,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.440,2.050],
"number_observations": 275184,
"number_observations_unique": 36318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 21095,
"number_observations_unique": 2779,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.577
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [19.440,8.940],
"number_observations": 2937,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}