Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f81af4fa36fc78443f2177a8902339a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.141,
"b": 57.177,
"c": 115.237,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.810,1.600],
"number_observations": 301431,
"number_observations_unique": 46271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 21891,
"number_observations_unique": 3357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.834
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [28.810,7.160],
"number_observations": 3625,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 87.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}