Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ea7e2b2445a86d5f98c6130839e21e07",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.21,
"b": 83.21,
"c": 134.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.150,2.420],
"number_observations": 419017,
"number_observations_unique": 21210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.420],
"number_observations": 32556,
"number_observations_unique": 1542,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.291
},
{
"type": "R(meas)",
"value": 2.347
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [38.150,10.820],
"number_observations": 3740,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}