Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15b051f6a9aba0282e07e95c0af65cc9",
"space_group_name": "P 1",
"unit_cell": {
"a": 79.067,
"b": 86.271,
"c": 201.967,
"alpha": 89.70,
"beta": 86.01,
"gamma": 69.45
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.980,2.930],
"number_observations": 371631,
"number_observations_unique": 105382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.930],
"number_observations": 19142,
"number_observations_unique": 5176,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.204
},
{
"type": "R(meas)",
"value": 2.580
},
{
"type": "R(pim)",
"value": 1.330
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
},
{
"resolution_limits": [47.980,16.050],
"number_observations": 2296,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}