Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ecf2c9ec967aa553b6a8ac573044f28",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 46.525,
"b": 115.796,
"c": 53.529,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.590,1.400],
"number_observations": 364526,
"number_observations_unique": 57845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 17904,
"number_observations_unique": 2820,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.810
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "R(pim)",
"value": 0.775
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [48.590,7.670],
"number_observations": 2002,
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}