Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5232b1dcf0dd44777c3ea0f493939b7b",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.243,
"b": 131.799,
"c": 66.316,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.260,1.470],
"number_observations_unique": 99458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 30755,
"number_observations_unique": 4699,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.443
},
{
"type": "R(meas)",
"value": 1.566
},
{
"type": "R(pim)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [47.220,8.060],
"number_observations": 4061,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}