Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b3e70a6c709ddebf13edcf12356626a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 120.841,
"b": 120.841,
"c": 79.636,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.640,2.100],
"number_observations": 821804,
"number_observations_unique": 35009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 58244,
"number_observations_unique": 2827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.793
},
{
"type": "R(meas)",
"value": 1.839
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [79.640,8.910],
"number_observations": 10331,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}