Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bda2cc09ab988db258f4f018c07bbfac",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.71,
"b": 57.10,
"c": 115.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.900,1.840],
"number_observations": 195165,
"number_observations_unique": 30352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 14752,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.444
},
{
"type": "R(meas)",
"value": 1.566
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [31.900,8.230],
"number_observations": 2371,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}