Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3af1b30dc3d4b46be2621c43c920e3b9",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 88.526,
"b": 88.526,
"c": 72.992,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.8980],
"number_observations": 498785,
"number_observations_unique": 26228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 19.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.400
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 1327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 1280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.700
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 1343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.400
}
]
}
]
}