Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5951b572e6e82718262ab3f4b9adbae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.768,
"b": 53.821,
"c": 44.992,
"alpha": 90.00,
"beta": 101.46,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.470,2.000],
"number_observations": 122406,
"number_observations_unique": 18097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations": 11897,
"number_observations_unique": 1754,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.790
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [48.470,7.750],
"number_observations": 1882,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}