Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "21ca1df9356671d9fc7aaa4f80667ad6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.497,
"b": 83.943,
"c": 59.027,
"alpha": 90.00,
"beta": 108.08,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.110,1.510],
"number_observations": 421112,
"number_observations_unique": 73772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 5239,
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.455
},
{
"type": "R(meas)",
"value": 1.858
},
{
"type": "R(pim)",
"value": 1.129
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 53.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
},
{
"resolution_limits": [56.110,8.270],
"number_observations": 3273,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}