Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6863ff568ec9e09513a45cdfeecd69ec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.51,
"b": 79.46,
"c": 89.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.130,1.700],
"number_observations": 312946,
"number_observations_unique": 49571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 24587,
"number_observations_unique": 3647,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.157
},
{
"type": "R(meas)",
"value": 2.337
},
{
"type": "R(pim)",
"value": 0.892
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [49.130,7.600],
"number_observations": 4089,
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}