Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7cb0dfcdc96aae808673b8ac42b17939",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.427,
"b": 41.271,
"c": 72.016,
"alpha": 90.00,
"beta": 104.22,
"gamma": 90.00
},
"wavelengths": [1.19499],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.530,1.290],
"number_observations": 185645,
"number_observations_unique": 57418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 3142,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 47.200
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [35.530,7.080],
"number_observations": 1295,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}