Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97f66bac5938d8c300b267ba7da2afd6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.750,
"b": 78.674,
"c": 92.852,
"alpha": 90.00,
"beta": 100.08,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.710,2.200],
"number_observations_unique": 25069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 2450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [45.710,8.520],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}