Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "56f93c5cf07a752836c9bf63080a7f2d",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.723,
"b": 88.723,
"c": 39.479,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88570],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.360,1.000],
"number_observations": 1053596,
"number_observations_unique": 165113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36488,
"number_observations_unique": 7548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [44.360,5.480],
"number_observations": 7505,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}