Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68e7ec9e4cf231ef5f901c3b84ba00d9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.840,
"b": 58.144,
"c": 114.496,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.830,1.440],
"number_observations": 395528,
"number_observations_unique": 63115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations": 25159,
"number_observations_unique": 4559,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.563
},
{
"type": "R(meas)",
"value": 1.730
},
{
"type": "R(pim)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [51.830,6.440],
"number_observations": 4914,
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}