Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a4acc56220bf1394c0654594c6d66bf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.93,
"b": 93.60,
"c": 93.81,
"alpha": 90.0,
"beta": 107.8,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.050,1.510],
"number_observations": 505592,
"number_observations_unique": 147574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations": 38192,
"number_observations_unique": 10897,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.084
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "R(pim)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [55.050,6.750],
"number_observations": 6152,
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}