Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25fec6b0759a29056d91f3b41fa3b71a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 9.439,
"b": 17.792,
"c": 44.561,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.150],
"number_observations": 14648,
"number_observations_unique": 2627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.150],
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 65.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.240,1.190],
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 75.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.300,1.240],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.360,1.300],
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [1.560,1.450],
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.720,1.560],
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.970,1.720],
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.480,1.970],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [50.000,2.480],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}