Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58c5b2320667b17d3e2193ad781ece2f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.802,
"b": 81.894,
"c": 216.282,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.890,2.170],
"number_observations": 341559,
"number_observations_unique": 46848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.170],
"number_observations": 47110,
"number_observations_unique": 6704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [81.890,6.860],
"number_observations": 11032,
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}