Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "452c5e27dd6634f419f1c363f4b3be33",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.763,
"b": 59.353,
"c": 82.232,
"alpha": 83.01,
"beta": 89.92,
"gamma": 63.41
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 32955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "Completeness",
"value": 69.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 1696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 1725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}