Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "401733ce67ae919dcdb2425af4dee8ad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.14,
"b": 111.10,
"c": 138.15,
"alpha": 90.00,
"beta": 117.39,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.660,1.980],
"number_observations": 476499,
"number_observations_unique": 130738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.100
},
{
"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": 21913,
"number_observations_unique": 6401,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.593
},
{
"type": "R(pim)",
"value": 0.989
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [62.660,10.840],
"number_observations": 2877,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}