Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60e413fde6c27b30a49cb1c0664ecc3e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.692,
"b": 83.665,
"c": 96.513,
"alpha": 90.00,
"beta": 91.97,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.200,2.800],
"number_observations": 225877,
"number_observations_unique": 33406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.800],
"number_observations": 30054,
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.452
},
{
"type": "R(meas)",
"value": 1.570
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [51.200,9.290],
"number_observations": 6102,
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}