Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1011e97280b694b7acc3d1b374e127d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.801,
"b": 64.956,
"c": 48.277,
"alpha": 90.00,
"beta": 110.81,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.5440,1.4090],
"number_observations_unique": 53053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.410],
"number_observations": 35043,
"number_observations_unique": 7474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [39.540,4.450],
"number_observations": 9597,
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}