Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d62f0d02297b691191097e00ebbeb7cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.733,
"b": 68.084,
"c": 138.738,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.730,2.190],
"number_observations": 226620,
"number_observations_unique": 33778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 20287,
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.825
},
{
"type": "R(meas)",
"value": 3.057
},
{
"type": "R(pim)",
"value": 1.154
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [138.730,8.750],
"number_observations": 3487,
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}