Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20ec1535ed01f859d6cdb597407c8323",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.163,
"b": 93.458,
"c": 87.484,
"alpha": 90.00,
"beta": 108.61,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.440,2.320],
"number_observations": 173295,
"number_observations_unique": 46096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.320],
"number_observations": 25709,
"number_observations_unique": 6731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 1.131
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [67.440,7.320],
"number_observations": 5079,
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}