Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f79c55b419066d636e86f9d3d603b9c9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.225,
"b": 71.225,
"c": 149.902,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,1.310],
"number_observations": 1054974,
"number_observations_unique": 90377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 18584,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.673
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [29.320,7.170],
"number_observations": 7515,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}