Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43db314dc053bbda1674ef20926ed06b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.370,
"b": 100.318,
"c": 62.177,
"alpha": 90.00,
"beta": 137.27,
"gamma": 90.00
},
"wavelengths": [0.89750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.82,2.200],
"number_observations_unique": 15296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 6329,
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [23.810,9.070],
"number_observations": 848,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}