Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16f5c4c35d3e9c2abc29621562b0c595",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.511,
"b": 71.482,
"c": 96.210,
"alpha": 90.00,
"beta": 101.33,
"gamma": 90.00
},
"wavelengths": [0.99187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.340,2.130],
"number_observations": 124847,
"number_observations_unique": 33767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.130],
"number_observations": 18916,
"number_observations_unique": 4910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 1.015
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [94.340,6.740],
"number_observations": 3816,
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}