Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37fd2c432e8cde6f8217eb7f04e19997",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.019,
"b": 27.387,
"c": 56.312,
"alpha": 90.00,
"beta": 99.84,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.510,1.150],
"number_observations": 173876,
"number_observations_unique": 31749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 71.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 138,
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 5.900
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [55.510,6.200],
"number_observations": 1936,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 58.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}