Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5cae6ba923a320f66181c9e8e1c90b9",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 62.805,
"b": 102.360,
"c": 45.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.060],
"number_observations_unique": 130004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.060],
"number_observations_unique": 6274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.100,1.080],
"number_observations_unique": 6394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.120,1.100],
"number_observations_unique": 6440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.140,1.120],
"number_observations_unique": 6477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations_unique": 6444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.190,1.170],
"number_observations_unique": 6453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.220,1.190],
"number_observations_unique": 6439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations_unique": 6459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.290,1.260],
"number_observations_unique": 6480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations_unique": 6524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.380,1.340],
"number_observations_unique": 6487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.440,1.380],
"number_observations_unique": 6537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.500,1.440],
"number_observations_unique": 6564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.580,1.500],
"number_observations_unique": 6610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations_unique": 6613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.810,1.680],
"number_observations_unique": 6628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.990,1.810],
"number_observations_unique": 6605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.280,1.990],
"number_observations_unique": 6625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.880,2.280],
"number_observations_unique": 6594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,2.880],
"number_observations_unique": 6402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}