Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "240e3a3473bca425b28807a72e1406fe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 105.410,
"b": 63.589,
"c": 110.705,
"alpha": 90.00,
"beta": 104.88,
"gamma": 90.00
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.730,1.200],
"number_observations": 1414791,
"number_observations_unique": 216144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 50213,
"number_observations_unique": 9023,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.325
},
{
"type": "R(meas)",
"value": 1.460
},
{
"type": "R(pim)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.509
}
]
},
{
"resolution_limits": [45.730,6.570],
"number_observations": 9233,
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}