Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "216a467cd4158054b3073045fac008c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.54,
"b": 48.10,
"c": 70.45,
"alpha": 90.00,
"beta": 90.81,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.890,1.660],
"number_observations": 239252,
"number_observations_unique": 35420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations_unique": 2567,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.119
},
{
"type": "R(meas)",
"value": 2.292
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [37.890,7.420],
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}