Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ee9a03920c4d93f6f20687d3cadb4e8",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 30.193,
"b": 41.446,
"c": 110.199,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.450,1.430],
"number_observations": 123698,
"number_observations_unique": 25500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 4786,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [41.450,7.840],
"number_observations": 812,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 55.100
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}