Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "621ff1d9f89713f359d2e15b00ea7e90",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.205,
"b": 51.449,
"c": 79.454,
"alpha": 90.00,
"beta": 92.12,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.1750,1.420],
"number_observations_unique": 67228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 21484,
"number_observations_unique": 3227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [44.170,7.780],
"number_observations": 2906,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}