Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21ff1082e4c4d7875fe7dfd9d978a452",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.31,
"b": 51.51,
"c": 79.65,
"alpha": 90.00,
"beta": 92.21,
"gamma": 90.00
},
"wavelengths": [0.71080],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.240,1.5450],
"number_observations_unique": 48517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 14780,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.951
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [43.240,8.460],
"number_observations": 1818,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}