Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c52ed04598eff87e4b1db1506eddde3a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.00,
"b": 110.98,
"c": 137.93,
"alpha": 90.00,
"beta": 117.41,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.590,1.980],
"number_observations": 471462,
"number_observations_unique": 130202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 21634,
"number_observations_unique": 6359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [62.590,10.840],
"number_observations": 2847,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}