Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e1bf9c456cdbd6bbd6c4c9114abf767",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.455,
"b": 65.293,
"c": 84.291,
"alpha": 90.00,
"beta": 93.42,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.640,1.980],
"number_observations": 171062,
"number_observations_unique": 52040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 11768,
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.945
},
{
"type": "R(meas)",
"value": 1.145
},
{
"type": "R(pim)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [68.640,8.850],
"number_observations": 2057,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}