Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18d75f6b308f05c5a09f4b73330e32f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.613,
"b": 69.968,
"c": 57.678,
"alpha": 90.00,
"beta": 92.53,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.490,1.810],
"number_observations": 271671,
"number_observations_unique": 38877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 16505,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.503
},
{
"type": "R(meas)",
"value": 2.699
},
{
"type": "R(pim)",
"value": 1.001
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [44.490,9.050],
"number_observations": 1990,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}