Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee7446db84b0dfa717d79392a70033b3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.381,
"b": 64.254,
"c": 74.449,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.700,1.870],
"number_observations": 148450,
"number_observations_unique": 36678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.870],
"number_observations": 9236,
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.406
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [34.700,8.960],
"number_observations": 1307,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}