Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f51c52502a903ad78734500ff91c0e27",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.300,
"b": 58.462,
"c": 49.794,
"alpha": 90.00,
"beta": 115.94,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.230,1.430],
"number_observations": 149224,
"number_observations_unique": 44605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 9515,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [29.230,6.400],
"number_observations": 1747,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}