Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "901264ea3c56c8666ec982e1e81f2076",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.880,
"b": 27.462,
"c": 56.287,
"alpha": 90.00,
"beta": 99.99,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.450,1.190],
"number_observations": 174075,
"number_observations_unique": 33631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 590,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.562
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 23.600
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [55.450,6.520],
"number_observations": 1543,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 76.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}