Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75018ef30fa56ed3f2d6a36097a60f7d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 106.30,
"b": 116.91,
"c": 64.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92009],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.590,2.470],
"number_observations": 215159,
"number_observations_unique": 29660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.470],
"number_observations": 15441,
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.215
},
{
"type": "R(meas)",
"value": 1.310
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [56.590,11.050],
"number_observations": 2461,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}