Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7698aceaf4b7c9e3a0303dda5605a12f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.16,
"b": 67.68,
"c": 30.31,
"alpha": 90.00,
"beta": 104.18,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.840,1.990],
"number_observations": 38740,
"number_observations_unique": 11694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 2903,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [33.840,8.900],
"number_observations": 425,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}