Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e1a9ed0360cf77ad43d1b3dd2046400",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.639,
"b": 56.550,
"c": 102.110,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.680],
"number_observations": 250597,
"number_observations_unique": 37562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 18320,
"number_observations_unique": 2706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [29.160,7.510],
"number_observations": 3044,
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}