Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fd5e3f1a12b9bf7bb308c23d69fc7d6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.402,
"b": 81.298,
"c": 225.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.470,2.270],
"number_observations": 287773,
"number_observations_unique": 42988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 43119,
"number_observations_unique": 6175,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.019
},
{
"type": "R(meas)",
"value": 1.101
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [76.470,7.180],
"number_observations": 9870,
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}