Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2d022ca3ba4c8242c1dcc5983aca846",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.503,
"b": 85.817,
"c": 145.456,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.490,2.230],
"number_observations": 288257,
"number_observations_unique": 44243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 25607,
"number_observations_unique": 3898,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.228
},
{
"type": "R(meas)",
"value": 1.332
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [48.490,8.920],
"number_observations": 4109,
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}