Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee864b0e97500316845f0b5136f3ec69",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.19,
"b": 109.09,
"c": 118.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.960,1.950],
"number_observations": 514737,
"number_observations_unique": 71596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations": 31337,
"number_observations_unique": 4546,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [31.960,9.350],
"number_observations": 4320,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}