Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "538fd3ba529f4939f97a24c63123ceb0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.03,
"b": 93.50,
"c": 92.92,
"alpha": 90.00,
"beta": 108.05,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.350,2.050],
"number_observations": 143703,
"number_observations_unique": 51588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 8142,
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.883
},
{
"type": "R(pim)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 76.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [88.350,9.170],
"number_observations": 2362,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}