Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59213dbebda23301486ae05d3e018409",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.789,
"b": 69.402,
"c": 57.242,
"alpha": 90.00,
"beta": 92.17,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.390,1.540],
"number_observations": 418700,
"number_observations_unique": 61959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 16604,
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.033
},
{
"type": "R(meas)",
"value": 2.248
},
{
"type": "R(pim)",
"value": 0.946
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [69.390,8.300],
"number_observations": 2603,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 49.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}