Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "981b72372b9af3bce42cb93260858837",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.616,
"b": 54.744,
"c": 40.228,
"alpha": 90.00,
"beta": 103.53,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.110,1.570],
"number_observations": 59473,
"number_observations_unique": 16318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 2848,
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.070
},
{
"type": "R(pim)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [39.110,8.600],
"number_observations": 295,
"number_observations_unique": 97,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}