Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c34fddb59b82403e8e808e75220ba7a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.091,
"b": 96.632,
"c": 57.961,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.700],
"number_observations": 163666,
"number_observations_unique": 25377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 6682,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.842
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [28.980,8.850],
"number_observations": 1318,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}