Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3a10d3fd0d492241508b2e82c1ddd81",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.120,
"b": 56.989,
"c": 73.573,
"alpha": 78.42,
"beta": 89.21,
"gamma": 78.92
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.580,1.790],
"number_observations": 357545,
"number_observations_unique": 48586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 9238,
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [48.580,8.950],
"number_observations": 3089,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}