Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da2c105b8c136c1e94bc638dca2ca83a",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 73.853,
"b": 73.853,
"c": 146.749,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.690],
"number_observations_unique": 11946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.690],
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [3.190,3.030],
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [3.390,3.190],
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [3.650,3.390],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [4.020,3.650],
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [4.600,4.020],
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [5.790,4.600],
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [50.000,5.790],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.500
}
]
}
]
}