Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a61b24565f8c53b1285c403e0870e5ec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.481,
"b": 65.772,
"c": 58.229,
"alpha": 90.00,
"beta": 94.08,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.500],
"number_observations_unique": 11875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.350,4.260],
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [20.000,5.350],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.300
}
]
}
]
}