Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde54cebd7c7b3e6670f460245ae53ba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.23,
"b": 57.35,
"c": 115.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.640,1.650],
"number_observations": 264631,
"number_observations_unique": 42413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 20210,
"number_observations_unique": 3100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.724
},
{
"type": "R(meas)",
"value": 1.872
},
{
"type": "R(pim)",
"value": 0.725
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [57.640,7.380],
"number_observations": 3396,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}