Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1c2b0aba6ecdb24e8bfd85e86c7f4f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.152,
"b": 64.469,
"c": 64.653,
"alpha": 90.00,
"beta": 90.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.650,1.850],
"number_observations": 177950,
"number_observations_unique": 44028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 8997,
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [45.650,9.060],
"number_observations": 1340,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}