Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76aa31a92ccba300f6011d422946039b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.353,
"b": 118.843,
"c": 165.112,
"alpha": 90.00,
"beta": 90.12,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.291,1.800],
"number_observations_unique": 184082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 48623,
"number_observations_unique": 8637,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.049
},
{
"type": "R(meas)",
"value": 5.580
},
{
"type": "R(pim)",
"value": 2.329
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [39.280,9.860],
"number_observations": 7639,
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}