Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a16bc531ff0b374daa584aa6d6f88d78",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.968,
"b": 90.028,
"c": 100.290,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.150,1.900],
"number_observations": 422464,
"number_observations_unique": 44377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 22073,
"number_observations_unique": 2782,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.483
},
{
"type": "R(meas)",
"value": 3.715
},
{
"type": "R(pim)",
"value": 1.258
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [21.150,8.910],
"number_observations": 2090,
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 56.400
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}