Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "011c3caef71290db9f867dd7ee41ad7a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.978,
"b": 133.472,
"c": 162.088,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,3.2990],
"number_observations_unique": 32667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.300],
"number_observations": 24848,
"number_observations_unique": 4644,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.557
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [48.990,10.430],
"number_observations": 5578,
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}