Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9735927ae08420bf4721a032a0ffc526",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.293,
"b": 126.293,
"c": 41.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.950],
"number_observations": 281254,
"number_observations_unique": 28166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 20312,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.040
},
{
"type": "R(meas)",
"value": 1.099
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [29.360,8.710],
"number_observations": 3287,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 97.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}