Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70924913af10552e1a14068aa16a32c9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 22.593,
"b": 26.114,
"c": 45.468,
"alpha": 90.00,
"beta": 104.28,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.110,1.800],
"number_observations": 14437,
"number_observations_unique": 4769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 950,
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [26.110,8.630],
"number_observations": 105,
"number_observations_unique": 40,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}