Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57998dd0550818dccddcf195b1eee813",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 105.59,
"b": 105.59,
"c": 305.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.720,2.170],
"number_observations": 2328897,
"number_observations_unique": 92207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.170],
"number_observations": 182715,
"number_observations_unique": 6718,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.221
},
{
"type": "R(meas)",
"value": 2.263
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [31.720,9.700],
"number_observations": 22978,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}