Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b5b96fbd3079b1381704c5ae7f82f8f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.47,
"b": 194.62,
"c": 62.09,
"alpha": 90.00,
"beta": 97.16,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.050,1.980],
"number_observations": 1669839,
"number_observations_unique": 95377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 122256,
"number_observations_unique": 7103,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.628
},
{
"type": "R(meas)",
"value": 9.922
},
{
"type": "R(pim)",
"value": 2.378
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [52.050,8.850],
"number_observations": 18026,
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}