Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "068f36901729b68fab48bde1e6e3e3bb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 48.813,
"b": 30.919,
"c": 46.494,
"alpha": 90.00,
"beta": 90.56,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.120,1.980],
"number_observations": 12687,
"number_observations_unique": 4761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 908,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [26.120,9.070],
"number_observations": 146,
"number_observations_unique": 54,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}