Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef07c62b8f1e24a037f82ac616bdca31",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.347,
"b": 41.799,
"c": 110.494,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,1.140],
"number_observations": 285980,
"number_observations_unique": 57443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.140],
"number_observations": 5463,
"number_observations_unique": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [29.170,5.100],
"number_observations": 4216,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 67.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}