Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dd6e224b8e4dfd6656223ca8408418f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.999,
"b": 41.015,
"c": 71.536,
"alpha": 90.00,
"beta": 104.47,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.770,1.289],
"number_observations_unique": 57414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 2542,
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.826
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 60.100
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [31.770,7.060],
"number_observations": 1767,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}