Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "433a4dc7e0bae6ff54c1eddf4d17a5a6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.36,
"b": 102.47,
"c": 87.68,
"alpha": 90.00,
"beta": 102.54,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.660,2.400],
"number_observations": 186031,
"number_observations_unique": 46133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 11674,
"number_observations_unique": 3157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [69.660,10.730],
"number_observations": 2394,
"number_observations_unique": 562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}