Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e94b50aa7db2714082e41c1d7b8d354",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.45,
"b": 77.43,
"c": 66.40,
"alpha": 90.00,
"beta": 90.31,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.404,1.510],
"number_observations_unique": 75045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations": 24662,
"number_observations_unique": 5476,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.056
},
{
"type": "R(meas)",
"value": 1.195
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [50.400,6.750],
"number_observations": 7159,
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 68.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}