Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59eee1121246191a8f97de640ef6a4f7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.467,
"b": 96.728,
"c": 58.010,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.950],
"number_observations": 112450,
"number_observations_unique": 17297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 6978,
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.080
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [29.000,8.920],
"number_observations": 1300,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}