Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c9b2f69799da8fbad1969c73051988e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.301,
"b": 259.921,
"c": 80.350,
"alpha": 90.00,
"beta": 118.81,
"gamma": 90.00
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,2.000],
"number_observations_unique": 177005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 9872,
"number_observations_unique": 5559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 58.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [47.750,10.950],
"number_observations": 2928,
"number_observations_unique": 1173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}