Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84dd168eb401d9ab049caf4e6be7f317",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.457,
"b": 95.457,
"c": 45.887,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.500,1.310],
"number_observations": 561227,
"number_observations_unique": 46620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 10296,
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.290
},
{
"type": "R(meas)",
"value": 2.483
},
{
"type": "R(pim)",
"value": 0.925
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 60.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [67.500,7.060],
"number_observations": 4257,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 86.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}