Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7ecbaf942806d2776b36698e91fabb2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.120,
"b": 54.245,
"c": 35.805,
"alpha": 90.00,
"beta": 94.99,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.120,1.200],
"number_observations": 274139,
"number_observations_unique": 40273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 12395,
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [27.120,6.570],
"number_observations": 1621,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}