Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab3f4e691a57cfcf9a4aa2828d7cca22",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.498,
"b": 112.220,
"c": 62.550,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.770,1.800],
"number_observations_unique": 27260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6134,
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [41.770,8.990],
"number_observations": 1294,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}