Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a999ce579d1f9481cbf68f9017e82f60",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 71.77,
"b": 63.39,
"c": 79.32,
"alpha": 90.00,
"beta": 94.91,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.900,1.950],
"number_observations": 179047,
"number_observations_unique": 49639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8833,
"number_observations_unique": 2851,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.669
},
{
"type": "R(meas)",
"value": 2.014
},
{
"type": "R(pim)",
"value": 1.106
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [50.900,8.940],
"number_observations": 1711,
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}