Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49685a2e11cd28c718a5654c25d5e2e6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.263,
"b": 41.431,
"c": 72.328,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.030,1.300],
"number_observations": 177771,
"number_observations_unique": 56755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 3359,
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 59.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [32.030,7.140],
"number_observations": 1201,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}