Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1add2ccb56205743aba95bd56452b3a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.342,
"b": 49.174,
"c": 116.216,
"alpha": 90.00,
"beta": 95.06,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.040,1.770],
"number_observations": 599881,
"number_observations_unique": 88094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 22258,
"number_observations_unique": 4134,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.720
},
{
"type": "R(meas)",
"value": 3.019
},
{
"type": "R(pim)",
"value": 1.279
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.336
}
]
},
{
"resolution_limits": [80.040,9.530],
"number_observations": 4142,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 53.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}