Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ffcc775ed2671ef6bc72eb3b68911e82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.336,
"b": 83.102,
"c": 58.769,
"alpha": 90.00,
"beta": 108.53,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.120,1.670],
"number_observations": 365615,
"number_observations_unique": 58356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 11903,
"number_observations_unique": 2810,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.806
},
{
"type": "R(meas)",
"value": 2.061
},
{
"type": "R(pim)",
"value": 0.977
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [83.120,9.000],
"number_observations": 2471,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 75.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}